SCHEMBL4749258

Cc1c(F)cccc1C1C(C(=O)c2cc(O)ccc2F)CN(CCCCN(C)C)CC1C(=O)C1CN(CCCCN(C)C)CC(C(=O)c2cc(O)ccc2F)C1c1cccc(F)c1C

nearest known ligand 0.35

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	KIF11	P52732	2/20	0.35

▸	ACHE	P22303	1/20	0.33

▸	MGLL	Q99685	4/20	0.33

▸	HSP90B1	P14625	1/20	0.32

▸	TRAP1	Q12931	1/20	0.32

▸	GAA	P10253	1/20	0.31

▸	ESR1	P03372	2/20	0.31

▸	ESR2	Q92731	1/20	0.31

▸	ALDH1A1	P00352	1/20	0.30

▸	HTR7	P34969	1/20	0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compound	similarity	top predicted	shared targets
SCHEMBL4749270	1.00	KIF11 (0.35)	KIF11ACHEMGLLHSP90B1TRAP1
SCHEMBL4864863	0.90	HTR7 (0.33)	KIF11GAAESR1HTR7
SCHEMBL4751736	0.89	KIF11 (0.35)	KIF11ACHEALDH1A1HTR7
SCHEMBL4751358	0.89	KIF11 (0.35)	KIF11ACHEALDH1A1HTR7
SCHEMBL4752081	0.89	KIF11 (0.35)	KIF11ACHEALDH1A1HTR7
SCHEMBL4749505	0.89	KIF11 (0.35)	KIF11ACHEALDH1A1HTR7
SCHEMBL4752741	0.89	KIF11 (0.35)	KIF11ACHEALDH1A1HTR7
SCHEMBL4751821	0.88	MEN1 (0.36)	KIF11ACHEHSP90B1TRAP1ESR1
SCHEMBL4751967	0.88	HTR7 (0.35)	KIF11ACHEALDH1A1HTR7
SCHEMBL4751963	0.88	HTR7 (0.35)	KIF11ACHEALDH1A1HTR7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-2008140810-A1	CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS	CYTOKINETICS, INCORPORATED (US)	2008-11-20	—	—	WO	claimed
WO-2008140810-A1	CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS	CYTOKINETICS, INCORPORATED (US)	2008-11-20	—	—	WO	disclosed