SCHEMBL4787486

Cc1c(F)cccc1[C@H]1[C@@H](C(=O)c2cccc(O)c2)CN(C[C@@H](N(C)C)C(C)(C)O)C[C@@H]1c1ccc(C(=O)c2ccc([C@H]3CN(C[C@@H](N(C)C)C(C)(C)O)C[C@H](C(=O)c4cccc(O)c4)[C@@H]3c3cccc(F)c3C)c(O)c2)cc1O

nearest known ligand 0.32

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	HSD17B1	P14061	1/20	0.32

▸	HSD17B2	P37059	1/20	0.32

▸	FASN	P49327	1/20	0.31

▸	KDM2B	Q8NHM5	2/20	0.31

▸	MEN1	O00255	1/20	0.30

▸	KMT2A	Q03164	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
SCHEMBL4749303	0.91	KDM2B (0.31)	KDM2B
SCHEMBL4749092	0.91	KDM2B (0.31)	KDM2B
SCHEMBL4749288	0.91	KDM2B (0.31)	KDM2B
SCHEMBL4749084	0.91	KDM2B (0.31)	KDM2B
SCHEMBL4752898	0.89	—	—
SCHEMBL4749085	0.84	HTR1A (0.31)	KDM2B
SCHEMBL4749073	0.84	HTR1A (0.31)	KDM2B
SCHEMBL4021957	0.79	KDM2B (0.32)	KDM2BMEN1KMT2A
SCHEMBL4025503	0.79	KIF11 (0.34)	KDM2BMEN1KMT2A
SCHEMBL4751978	0.79	KDM2B (0.30)	KDM2B

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 1 patent. 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	disclosed