SCHEMBL14338728

COc1cc(N=Nc2cc3nn(-c4ccc(S(=O)(=O)O)cc4)nc3cc2S(=O)(=O)O)c(NC(C)=O)cc1/N=N\c1cc(OC)c(/N=N\c2c(S(=O)(=O)O)cc3cc(NC=O)ccc3c2O)cc1C

nearest known ligand 0.49

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	ENPP2	Q13822	11/20	0.49

▸	CD40	P25942	1/20	0.43

▸	CD40LG	P29965	1/20	0.43

▸	PRMT3	O60678	1/20	0.39

▸	EP300	Q09472	1/20	0.39

▸	PRMT6	Q96LA8	1/20	0.39

▸	PRMT1	Q99873	1/20	0.39

▸	CA2	P00918	1/20	0.38

▸	CA3	P07451	1/20	0.38

▸	PTPN1	P18031	2/20	0.35

▸	ALDH1A1	P00352	1/20	0.35

▸	HIF1A	Q16665	1/20	0.35

▸	PHLPP2	Q6ZVD8	1/20	0.35

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
SCHEMBL14338727	0.85	ENPP2 (0.53)	ENPP2CD40CD40LGPRMT3EP300
SCHEMBL14338697	0.84	ENPP2 (0.57)	ENPP2CD40CD40LGPRMT3EP300
SCHEMBL14338694	0.84	ENPP2 (0.53)	ENPP2CD40CD40LGPRMT3EP300
SCHEMBL14338560	0.78	ENPP2 (0.51)	ENPP2CD40CD40LGPRMT3EP300
SCHEMBL14338717	0.78	ENPP2 (0.48)	ENPP2CD40CD40LGPRMT3EP300
SCHEMBL14388330	0.77	ENPP2 (0.59)	ENPP2CD40CD40LGPRMT3EP300
SCHEMBL14338557	0.76	ENPP2 (0.53)	ENPP2CD40CD40LGPRMT3EP300
SCHEMBL14394240	0.76	ENPP2 (0.62)	ENPP2CD40CD40LGPRMT3EP300
SCHEMBL14338706	0.76	ENPP2 (0.46)	ENPP2CD40CD40LGPRMT3EP300
SCHEMBL14338720	0.75	CD40 (0.62)	ENPP2CD40CD40LGPRMT3EP300

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-7304147-B2	Azo compound and salt thereof	NIPPON KAYAKU KABUSHIKI KAISHA (JP)	2007-12-04	—	—	US	disclosed