SCHEMBL6814124

Cc1sc(C(=O)Nc2ccc(C#N)cc2C(=O)OC(=O)c2cc(C#N)ccc2NC(=O)c2cc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)c(C)s2)cc1S(=O)(=O)N(C)CCC#N

nearest known ligand 0.43

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	MAPT	P10636	2/20	0.43

▸	TSHR	P16473	2/20	0.43

▸	ALDH1A1	P00352	2/20	0.36

▸	GPR6	P46095	4/20	0.35

▸	PKM	P14618	1/20	0.35

▸	MEN1	O00255	2/20	0.35

▸	KMT2A	Q03164	2/20	0.35

▸	ALB	P02768	1/20	0.35

▸	MCL1	Q07820	1/20	0.35

▸	LMNA	P02545	1/20	0.35

▸	SMN1; SMN2	Q16637	1/20	0.35

▸	USP2	O75604	1/20	0.34

▸	HSD17B10	Q99714	1/20	0.33

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
SCHEMBL6814120	0.94	MAPT (0.44)	MAPTTSHRALDH1A1GPR6PKM
SCHEMBL6818877	0.87	TP53 (0.40)	MAPTTSHRALDH1A1PKMMEN1
SCHEMBL6834002	0.85	MAPT (0.52)	MAPTTSHRALDH1A1GPR6PKM
SCHEMBL6833716	0.77	ALB (0.38)	ALDH1A1MEN1KMT2AALBMCL1
SCHEMBL6817806	0.76	CNR1 (0.43)	MAPTTSHRALDH1A1MEN1KMT2A
SCHEMBL6818779	0.74	ALB (0.51)	MAPTTSHRALDH1A1GPR6MEN1
SCHEMBL6932502	0.74	ALB (0.54)	MAPTTSHRALDH1A1MEN1KMT2A
SCHEMBL6834272	0.73	ALB (0.36)	ALDH1A1MEN1KMT2AALBMCL1
SCHEMBL6930797	0.73	ALB (0.53)	MAPTTSHRALDH1A1MEN1KMT2A
SCHEMBL6835846	0.72	ALB (0.66)	MAPTALDH1A1MEN1KMT2AALB

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-2004018428-A1	ANTIBACTERIAL BENZOIC ACID DERIVATIVES	PHARMACIA & UPJOHN COMPANY LLC (US)	2004-03-04	—	—	WO	disclosed