SCHEMBL872515

CCc1ccccc1CON1C[C@@H](N(C)C)C[C@H]1C(=O)Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3C[C@H](N(C)C)CN3C(=O)c3ccccc3CC)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	PIK3CA	P42336	2/20	0.33

▸	MTOR	P42345	2/20	0.33

▸	PIK3CD	O00329	1/20	0.33

▸	PIK3CB	P42338	1/20	0.33

▸	PIK3CG	P48736	1/20	0.33

▸	POLB	P06746	2/20	0.32

▸	CFD	P00746	1/20	0.32

▸	MEN1	O00255	1/20	0.31

▸	KMT2A	Q03164	1/20	0.31

▸	MAOA	P21397	1/20	0.30

▸	MAOB	P27338	1/20	0.30

▸	KDM4E	B2RXH2	1/20	0.30

▸	LMNA	P02545	1/20	0.30

▸	NAMPT	P43490	1/20	0.30

▸	THRB	P10828	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
SCHEMBL845370	0.91	PIK3CA (0.37)	PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL873619	0.87	TP53 (0.34)	PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL872636	0.85	POLB (0.33)	PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL845096	0.79	TP53 (0.40)	PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL873764	0.79	TP53 (0.35)	THRB
SCHEMBL845439	0.76	ALDH1A1 (0.38)	PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL873095	0.75	HDAC8 (0.38)	POLBMAOAMAOBNAMPT
SCHEMBL845354	0.74	POLB (0.57)	POLBMEN1KMT2AKDM4ELMNA
SCHEMBL845429	0.73	CTSS (0.44)	POLBMEN1KMT2AMAOAMAOB
SCHEMBL845007	0.72	PABPC1 (0.49)	MEN1KMT2AKDM4ELMNA

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
US-8143288-B2	Inhibitors of HCV replication	BRISTOL-MYERS SQUIBB COMPANY (US)	2012-03-27	—	—	US	disclosed