SCHEMBL14495437

C=CS(=O)(=O)c1cc(/N=N/c2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(/N=N/c4ccc(S(=O)(=O)Nc5ccc(/N=N/c6ccc(O)cc6O)cc5)cc4)c(O)c3c2N)c(S(=O)(=O)O)cc1S(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	ENPP2	Q13822	10/20	0.46

▸	CD40	P25942	1/20	0.42

▸	CD40LG	P29965	1/20	0.42

▸	THRB	P10828	1/20	0.39

▸	CYP1A2	P05177	1/20	0.39

▸	PHLPP2	Q6ZVD8	1/20	0.38

▸	HTT	P42858	2/20	0.37

▸	MEN1	O00255	1/20	0.37

▸	KMT2A	Q03164	1/20	0.37

▸	LMNA	P02545	2/20	0.37

▸	MAPT	P10636	1/20	0.37

▸	PRMT1	Q99873	1/20	0.37

▸	GAA	P10253	1/20	0.36

▸	HPGD	P15428	1/20	0.36

▸	NPSR1	Q6W5P4	1/20	0.36

▸	L3MBTL1	Q9Y468	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
SCHEMBL13892226	0.90	ENPP2 (0.46)	ENPP2CD40CD40LGTHRBCYP1A2
SCHEMBL13892266	0.89	ENPP2 (0.45)	ENPP2CD40CD40LGTHRBCYP1A2
SCHEMBL14271175	0.89	ENPP2 (0.46)	ENPP2CD40CD40LGTHRBCYP1A2
SCHEMBL14612530	0.85	ENPP2 (0.58)	ENPP2CD40CD40LGTHRBCYP1A2
SCHEMBL14271178	0.84	ENPP2 (0.48)	ENPP2CD40CD40LGTHRBCYP1A2
SCHEMBL14271170	0.82	ENPP2 (0.47)	ENPP2CD40CD40LGTHRBCYP1A2
SCHEMBL14271161	0.82	ENPP2 (0.46)	ENPP2CD40CD40LGTHRBCYP1A2
SCHEMBL13892267	0.81	ENPP2 (0.51)	ENPP2CD40CD40LGTHRBCYP1A2
SCHEMBL13880800	0.78	ENPP2 (0.38)	ENPP2CD40CD40LGTHRBCYP1A2
SCHEMBL13880801	0.77	ENPP2 (0.36)	ENPP2CD40CD40LGTHRBCYP1A2

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-2007063024-A2	KERATIN-BINDING EFFECTOR MOLECULES CONTAINING REACTIVE DYES	BASF SE (DE)	2007-06-07	—	—	WO	disclosed