SCHEMBL17384288

COc1cc(/N=N/c2c(S(=O)(=O)O)cc3c(/N=N/c4cc(NC(=O)CCCS(=O)(=O)CCCl)ccc4S(=O)(=O)CCOS(=O)(=O)O)c(N)ccc3c2O)c(S(=O)(=O)O)cc1/N=N/c1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	ENPP2	Q13822	12/20	0.43

▸	CD40	P25942	1/20	0.37

▸	CD40LG	P29965	1/20	0.37

▸	THRB	P10828	1/20	0.34

▸	CA2	P00918	1/20	0.34

▸	CA3	P07451	1/20	0.34

▸	PHLPP2	Q6ZVD8	1/20	0.33

▸	PRMT1	Q99873	2/20	0.33

▸	PRMT3	O60678	1/20	0.33

▸	EP300	Q09472	1/20	0.33

▸	PRMT6	Q96LA8	1/20	0.33

▸	CARM1	Q86X55	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
SCHEMBL17384284	0.92	CD40 (0.45)	ENPP2CD40CD40LGTHRBCA2
SCHEMBL17384220	0.87	CA2 (0.38)	ENPP2CD40CD40LGTHRBCA2
SCHEMBL14388751	0.81	ENPP2 (0.45)	ENPP2CD40CD40LGTHRBCA2
SCHEMBL17384126	0.79	ENPP2 (0.44)	ENPP2CD40CD40LGTHRBCA2
SCHEMBL17384282	0.78	ENPP2 (0.46)	ENPP2CD40CD40LGTHRBPHLPP2
SCHEMBL17384275	0.77	PHLPP2 (0.44)	ENPP2CD40CD40LGTHRBPHLPP2
SCHEMBL15985946	0.76	ENPP2 (0.44)	ENPP2CD40CD40LGTHRBPHLPP2
SCHEMBL14388815	0.76	ENPP2 (0.44)	ENPP2CD40CD40LGTHRBPHLPP2
SCHEMBL18801579	0.76	THRB (0.55)	ENPP2CD40CD40LGTHRBCA2
SCHEMBL14388922	0.76	THRB (0.45)	ENPP2CD40CD40LGTHRBCA2

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-2015193104-A1	MIXTURES OF REACTIVE DYES	HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH)	2015-12-23	—	—	WO	disclosed