SCHEMBL8022556

C=C(c1ccc(NCc2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)cc1S(=O)(=O)O)c1ccc(NCc2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)cc1S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	VCAM1	P19320	1/20	0.44

▸	THRB	P10828	11/20	0.41

▸	MAPT	P10636	2/20	0.38

▸	VDR	P11473	2/20	0.38

▸	HTT	P42858	2/20	0.38

▸	MEN1	O00255	1/20	0.38

▸	KMT2A	Q03164	1/20	0.38

▸	THRA	P10827	3/20	0.37

▸	MITF	O75030	1/20	0.36

▸	PAX8	Q06710	1/20	0.36

▸	POLB	P06746	1/20	0.36

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
SCHEMBL8021340	0.79	VCAM1 (0.55)	VCAM1THRBMAPTVDRHTT
SCHEMBL8008562	0.66	NT5E (0.48)	THRBHTTMEN1KMT2APOLB
SCHEMBL8019501	0.64	ADORA3 (0.56)	MEN1KMT2A
SCHEMBL10350707	0.64	ALDH1A1 (0.43)	MAPTHTTMEN1KMT2APOLB
SCHEMBL8008341	0.64	MEN1 (0.45)	MAPTMEN1KMT2A
SCHEMBL9359160	0.64	ENPP2 (0.57)	MAPTHTTMEN1KMT2APOLB
SCHEMBL7659049	0.63	VCAM1 (0.53)	VCAM1THRBMAPTVDRHTT
SCHEMBL7662894	0.63	VCAM1 (0.53)	VCAM1THRBMAPTVDRHTT
SCHEMBL8008740	0.63	ENPP2 (0.39)	MEN1KMT2A
SCHEMBL3870146	0.63	VCAM1 (0.59)	VCAM1THRBMAPTHTTKMT2A

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-2000058277-A1	ARYL SULFONIC ACIDS AND DERIVATIVES AS FSH ANTAGONISTS	AMERICAN HOME PRODUCTS CORPORATION (US)	2000-10-05	—	—	WO	disclosed