SCHEMBL845565

O=C(c1ccsc1)N(C(=O)[C@@H]1CCCN1C(=O)c1ccsc1)c1ccc(/C=C/c2ccc(N(C(=O)c3ccsc3)C(=O)[C@@H]3CCCN3C(=O)c3ccsc3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	KMT2A	Q03164	2/20	0.35

▸	ALDH1A1	P00352	3/20	0.35

▸	POLB	P06746	1/20	0.35

▸	RXFP1	Q9HBX9	1/20	0.35

▸	OPRM1	P35372	2/20	0.34

▸	OPRD1	P41143	2/20	0.34

▸	OPRK1	P41145	2/20	0.34

▸	CA2	P00918	1/20	0.33

▸	PKM	P14618	2/20	0.32

▸	MEN1	O00255	1/20	0.32

▸	MAPT	P10636	1/20	0.32

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
SCHEMBL845438	0.92	RHOC (0.41)	KMT2AALDH1A1POLBMAPT
SCHEMBL845259	0.90	KMT2A (0.30)	KMT2AALDH1A1POLBRXFP1
SCHEMBL845568	0.84	RHOC (0.36)	KMT2AALDH1A1POLBMAPT
SCHEMBL845541	0.78	RHOC (0.49)	KMT2AALDH1A1POLBMEN1MAPT
SCHEMBL845335	0.71	MAPT (0.57)	ALDH1A1POLBPKMMAPT
SCHEMBL871839	0.69	PSMB8 (0.39)	—
SCHEMBL13753573	0.68	GAA (0.62)	KMT2AALDH1A1POLBRXFP1CA2
SCHEMBL28282693	0.68	GAA (0.62)	KMT2AALDH1A1POLBRXFP1CA2
SCHEMBL845216	0.66	NPC1 (0.46)	KMT2AALDH1A1POLBMEN1
SCHEMBL845229	0.64	RHOC (0.48)	KMT2AALDH1A1MEN1MAPT

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