SCHEMBL4879689

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(CCNc3ccccc3)C[C@@H]2C(=O)c2ccccc2)c1C

nearest known ligand 0.33

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	KMT2A	Q03164	4/20	0.33

▸	MEN1	O00255	3/20	0.33

▸	EED	O75530	2/20	0.33

▸	DRD4	P21917	2/20	0.33

▸	MAPT	P10636	2/20	0.31

▸	GAA	P10253	1/20	0.31

▸	OPRM1	P35372	2/20	0.31

▸	TP53	P04637	1/20	0.31

▸	ALDH1A1	P00352	2/20	0.30

▸	HTR2A	P28223	1/20	0.30

▸	HTR2C	P28335	1/20	0.30

▸	SLC6A4	P31645	1/20	0.30

▸	KDM4E	B2RXH2	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
SCHEMBL4780209	0.90	KIF11 (0.36)	KMT2AMEN1EEDOPRM1ALDH1A1
SCHEMBL4019982	0.88	KMT2A (0.39)	KMT2AMEN1EEDDRD4ALDH1A1
SCHEMBL4019987	0.88	KMT2A (0.39)	KMT2AMEN1EEDDRD4ALDH1A1
SCHEMBL4024526	0.86	KIF11 (0.37)	KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL4020347	0.86	KIF11 (0.37)	KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL4020344	0.86	KIF11 (0.37)	KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL4776575	0.82	KIF11 (0.39)	KMT2AMEN1
SCHEMBL4776569	0.82	KIF11 (0.39)	KMT2AMEN1
SCHEMBL4024642	0.81	OPRM1 (0.36)	OPRM1
SCHEMBL4024639	0.81	OPRM1 (0.36)	OPRM1

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	disclosed
WO-2007059323-A2	CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS	CYTOKINETICS, INC. (US)	2007-05-24	—	—	WO	disclosed