SCHEMBL4774550

CN(C)C(=O)CN1C[C@H](C(=O)c2ccccc2)C(c2ccc(Cl)cc2)[C@@H](C(=O)c2ccccc2)C1.CN(C)C(=O)CN1C[C@H](C(=O)c2ccccc2)C(c2ccc(F)cc2)[C@@H](C(=O)c2ccccc2)C1.CN(C)C(=O)CN1C[C@H](C(=O)c2ccccc2)C(c2ccccc2I)[C@@H](C(=O)c2ccccc2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	MEN1	O00255	3/20	0.39

▸	KMT2A	Q03164	3/20	0.39

▸	CYP2D6	P10635	2/20	0.39

▸	CYP1A2	P05177	1/20	0.39

▸	CYP3A4	P08684	1/20	0.39

▸	CYP2C9	P11712	1/20	0.39

▸	CYP2C19	P33261	1/20	0.39

▸	RECQL	P46063	1/20	0.39

▸	ALDH1A1	P00352	4/20	0.36

▸	DRD4	P21917	1/20	0.36

▸	HTR2A	P28223	2/20	0.35

▸	L3MBTL1	Q9Y468	2/20	0.35

▸	RORC	P51449	1/20	0.35

▸	GAA	P10253	1/20	0.35

▸	MAPK1	P28482	1/20	0.35

▸	HRH1	P35367	1/20	0.35

▸	KCNH2	Q12809	1/20	0.35

▸	HTR2C	P28335	1/20	0.34

▸	HTR7	P34969	1/20	0.34

▸	HTR6	P50406	1/20	0.34

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
SCHEMBL4774556	1.00	MEN1 (0.39)	MEN1KMT2ACYP2D6CYP1A2CYP3A4
SCHEMBL4775773	0.94	KMT2A (0.36)	MEN1KMT2ACYP2D6CYP1A2CYP3A4
SCHEMBL4775771	0.94	KMT2A (0.36)	MEN1KMT2ACYP2D6CYP1A2CYP3A4
SCHEMBL4021421	0.87	ALDH1A1 (0.45)	MEN1KMT2ACYP2D6ALDH1A1RORC
SCHEMBL4022406	0.87	CYP1A2 (0.49)	MEN1KMT2ACYP2D6CYP1A2CYP3A4
SCHEMBL4028139	0.87	RORC (0.37)	MEN1KMT2ACYP2D6CYP1A2CYP3A4
SCHEMBL4022405	0.87	CYP1A2 (0.49)	MEN1KMT2ACYP2D6CYP1A2CYP3A4
SCHEMBL4021425	0.87	ALDH1A1 (0.45)	MEN1KMT2ACYP2D6ALDH1A1RORC
SCHEMBL4028137	0.87	RORC (0.37)	MEN1KMT2ACYP2D6CYP1A2CYP3A4
SCHEMBL4019710	0.79	RORC (0.43)	MEN1KMT2ACYP2D6CYP1A2CYP3A4

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