ROCS-Based Target Fishing--Check result

Title: verubecestat，a BACE1 inhibitor
Structure: C[C@]1(CS(=O)(=O)N(C(=N1)N)C)c2cc(ccc2F)NC(=O)c3ccc(cn3)F | Search PubChem

JOB ID: PGS1804126276

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

PDB# ⇓ ⇑	TanimotoCombo ⇓ ⇑	ShapeTanimoto ⇓ ⇑	ColorTanimoto ⇓ ⇑	Protein Name ⇓ ⇑	UNIPROT_ID ⇓ ⇑	UNIPROT_AC ⇓ ⇑
155	1.555	0.898	0.657	Beta-secretase 1	BACE1_HUMAN	P56817
64	1.015	0.798	0.26	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform	PK3CG_HUMAN	P48736
125	1.07	0.783	0.378	Mitogen-activated protein kinase 14	MK14_HUMAN	Q16539
29	0.975	0.763	0.383	Serine/threonine-protein kinase GSK3B	GSK3B_HUMAN	P49841
6	0.907	0.743	0.178	Beta-2 adrenergic receptor	ADRB2_HUMAN	P07550
2	0.798	0.721	0.122	cGMP-dependent 3',5'-cyclic phosphodiesterase	PDE2A_HUMAN	O00408
4	0.883	0.709	0.226	Cyclin-dependent kinase 5	CDK5_HUMAN	Q00535
16	0.88	0.682	0.243	Epidermal growth factor receptor	EGFR_HUMAN	P00533
14	0.83	0.679	0.343	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	PDE4D_HUMAN	Q08499
12	0.843	0.677	0.231	Oxysterols receptor LXR-beta	NR1H2_HUMAN	P55055
41	0.87	0.677	0.279	Acetylcholinesterase	ACES_TORCA	P04058
7	0.863	0.671	0.262	cAMP-specific 3',5'-cyclic phosphodiesterase 4B	PDE4B_HUMAN	Q07343
6	0.811	0.666	0.198	High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A	PDE9A_HUMAN	O76083
1	0.88	0.66	0.22	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform	PK3CB_MOUSE	Q8BTI9
3	0.856	0.648	0.235	cGMP-specific 3',5'-cyclic phosphodiesterase	PDE5A_HUMAN	O76074
5	0.864	0.647	0.22	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	PIN1_HUMAN	Q13526
1	0.811	0.636	0.175	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	PK3CD_MOUSE	O35904
3	0.808	0.628	0.223	Amine oxidase [flavin-containing] B	AOFB_HUMAN	P27338
1	0.904	0.627	0.277	Phosphatidylinositol 3-kinase catalytic subunit type 3	PK3C3_HUMAN	Q8NEB9
2	0.848	0.627	0.221	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	PK3CA_HUMAN	P42336
2	0.765	0.609	0.156	Caspase-6	CASP6_HUMAN	P55212
7	0.779	0.583	0.242	Oxysterols receptor LXR-alpha	NR1H3_MOUSE	Q9Z0Y9
1	0.79	0.576	0.214	Cholinesterase	CHLE_HUMAN	P06276
19	0.752	0.567	0.204	3-hydroxy-3-methylglutaryl-coenzyme A reductase	HMDH_HUMAN	P04035
4	0.749	0.557	0.206	Caspase-3	CASP3_HUMAN	P42574
1	0.704	0.554	0.15	Arachidonate 12-lipoxygenase, 12S-type	LOX12_PIG	P16469
2	0.674	0.541	0.133	Acyl-coenzyme A:cholesterol acyltransferase	EST1_HUMAN	P23141
2	0.865	0.538	0.328	Nitric oxide synthase, inducible	NOS2_HUMAN	P35228
1	0.742	0.528	0.215	cAMP-specific 3',5'-cyclic phosphodiesterase 4A	PDE4A_HUMAN	P27815
1	0.593	0.526	0.067	Arachidonate 15-lipoxygenase	LOX15_RABIT	P12530
1	0.636	0.504	0.132	Endothelin-converting enzyme 1	ECE1_HUMAN	P42892
1	0.644	0.459	0.185	Myeloperoxidase	PERM_HUMAN	P05164
1	0.701	0.39	0.311	Muscarinic acetylcholine receptor M2	ACM2_HUMAN	P08172

ROCS-Based Target Prediction