ROCS-Based Target Fishing--Check result

Title: MOA-B inhibitor，J. Med. Chem., 2014, 57 (15), pp 6679–6703 DOI: 10.1021/jm500729
Structure: O=C(Nc1ccc(Cl)c(Cl)c1)c3ccc2[nH]ncc2c3 | Search PubChem

JOB ID: PGS2700493855

33 Targets were ranked by ShapeTanimoto. If necessary, please click arrow to sort table.

PDB# ⇓ ⇑	TanimotoCombo ⇓ ⇑	ShapeTanimoto ⇓ ⇑	ColorTanimoto ⇓ ⇑	Protein Name ⇓ ⇑	UNIPROT_ID ⇓ ⇑	UNIPROT_AC ⇓ ⇑
29	1.038	0.836	0.283	Serine/threonine-protein kinase GSK3B	GSK3B_HUMAN	P49841
64	1.15	0.826	0.402	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform	PK3CG_HUMAN	P48736
3	1.078	0.794	0.299	Amine oxidase [flavin-containing] B	AOFB_HUMAN	P27338
6	0.919	0.782	0.215	High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A	PDE9A_HUMAN	O76083
125	1.19	0.776	0.491	Mitogen-activated protein kinase 14	MK14_HUMAN	Q16539
41	1.011	0.767	0.353	Acetylcholinesterase	ACES_MOUSE	P21836
4	1.02	0.755	0.287	Cyclin-dependent kinase 5	CDK5_HUMAN	Q00535
14	0.953	0.729	0.379	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	PDE4D_HUMAN	Q08499
7	0.937	0.727	0.31	cAMP-specific 3',5'-cyclic phosphodiesterase 4B	PDE4B_HUMAN	Q07343
155	1.022	0.721	0.331	Beta-secretase 1	BACE1_HUMAN	P56817
2	0.897	0.704	0.193	Nitric oxide synthase, inducible	NOS2_HUMAN	P35228
2	0.949	0.695	0.253	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	PK3CA_HUMAN	P42336
1	0.945	0.69	0.255	Phosphatidylinositol 3-kinase catalytic subunit type 3	PK3C3_HUMAN	Q8NEB9
1	0.806	0.68	0.126	Cholinesterase	CHLE_HUMAN	P06276
4	0.848	0.661	0.3	Caspase-3	CASP3_HUMAN	P42574
1	0.74	0.647	0.093	Endothelin-converting enzyme 1	ECE1_HUMAN	P42892
2	0.813	0.643	0.17	Acyl-coenzyme A:cholesterol acyltransferase	EST1_HUMAN	P23141
2	0.795	0.639	0.156	cGMP-dependent 3',5'-cyclic phosphodiesterase	PDE2A_HUMAN	O00408
2	0.763	0.637	0.145	Caspase-6	CASP6_HUMAN	P55212
1	0.794	0.63	0.163	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform	PK3CB_MOUSE	Q8BTI9
5	0.736	0.622	0.236	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	PIN1_HUMAN	Q13526
12	0.836	0.605	0.368	Oxysterols receptor LXR-beta	NR1H2_HUMAN	P55055
1	0.832	0.602	0.23	cAMP-specific 3',5'-cyclic phosphodiesterase 4A	PDE4A_HUMAN	P27815
6	0.81	0.602	0.208	Beta-2 adrenergic receptor	ADRB2_HUMAN	P07550
1	0.674	0.598	0.077	Arachidonate 15-lipoxygenase	LOX15_RABIT	P12530
16	0.857	0.581	0.291	Epidermal growth factor receptor	EGFR_HUMAN	P00533
3	0.725	0.57	0.234	cGMP-specific 3',5'-cyclic phosphodiesterase	PDE5A_HUMAN	O76074
7	0.756	0.565	0.261	Oxysterols receptor LXR-alpha	NR1H3_MOUSE	Q9Z0Y9
1	0.817	0.54	0.277	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	PK3CD_MOUSE	O35904
1	0.795	0.525	0.269	Muscarinic acetylcholine receptor M2	ACM2_HUMAN	P08172
1	0.797	0.508	0.29	Myeloperoxidase	PERM_HUMAN	P05164
1	0.764	0.498	0.266	Arachidonate 12-lipoxygenase, 12S-type	LOX12_PIG	P16469
19	0.707	0.482	0.23	3-hydroxy-3-methylglutaryl-coenzyme A reductase	HMDH_HUMAN	P04035

ROCS-Based Target Prediction