SCHEMBL4780209

Cc1c(F)cccc1C1[C@@H](C(=O)c2ccccc2)CN(CC(=O)N(C)C)C[C@@H]1C(=O)c1ccccc1.Cc1cccc(C2[C@@H](C(=O)c3ccccc3)CN(CCN)C[C@@H]2C(=O)c2ccccc2)c1C

nearest known ligand 0.36

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	KIF11	P52732	4/20	0.36

▸	MEN1	O00255	3/20	0.35

▸	KMT2A	Q03164	3/20	0.35

▸	EED	O75530	3/20	0.34

▸	OPRM1	P35372	3/20	0.33

▸	ALDH1A1	P00352	2/20	0.32

▸	KDM4E	B2RXH2	1/20	0.32

▸	MAPK1	P28482	1/20	0.31

▸	GRIN2B	Q13224	2/20	0.31

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
SCHEMBL4019982	0.91	KMT2A (0.39)	MEN1KMT2AEEDALDH1A1KDM4E
SCHEMBL4019987	0.91	KMT2A (0.39)	MEN1KMT2AEEDALDH1A1KDM4E
SCHEMBL4879689	0.90	KMT2A (0.33)	MEN1KMT2AEEDOPRM1ALDH1A1
SCHEMBL4020347	0.89	KIF11 (0.37)	KIF11MEN1KMT2AALDH1A1KDM4E
SCHEMBL4024526	0.89	KIF11 (0.37)	KIF11MEN1KMT2AALDH1A1KDM4E
SCHEMBL4020344	0.89	KIF11 (0.37)	KIF11MEN1KMT2AALDH1A1KDM4E
SCHEMBL4772648	0.88	KIF11 (0.44)	KIF11MEN1KMT2AALDH1A1
SCHEMBL4776569	0.85	KIF11 (0.39)	KIF11MEN1KMT2AGRIN2B
SCHEMBL4776575	0.85	KIF11 (0.39)	KIF11MEN1KMT2AGRIN2B
SCHEMBL4024639	0.84	OPRM1 (0.36)	KIF11OPRM1

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
EP-1962846-A2	CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS	Cytokinetics, Inc. (US)	2008-09-03	—	—	EP	claimed
WO-2007059323-A2	CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS	CYTOKINETICS, INC. (US)	2007-05-24	—	—	WO	claimed