SCHEMBL13779693

COc1ccc(N=Nc2c(SOOO)cc3cc(N=Nc4c(SOOO)cc5cc(S(=O)(=O)O)c(N=Nc6ccc7cc(S(=O)(=O)O)c(N=Nc8ccccc8SOOO)c(O)c7c6)c(N)c5c4O)ccc3c2O)c(S(=O)(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	ENPP2	Q13822	14/20	0.45

▸	PHLPP2	Q6ZVD8	1/20	0.42

▸	CD40	P25942	1/20	0.39

▸	CD40LG	P29965	1/20	0.39

▸	PTPN11	Q06124	1/20	0.38

▸	CYP1A2	P05177	1/20	0.37

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
SCHEMBL13994866	0.99	ENPP2 (0.43)	ENPP2PHLPP2CD40CD40LGPTPN11
SCHEMBL13388581	0.95	ENPP2 (0.47)	ENPP2PHLPP2CD40CD40LGPTPN11
SCHEMBL13994856	0.94	ENPP2 (0.42)	ENPP2PHLPP2CD40CD40LGPTPN11
SCHEMBL13994860	0.93	ENPP2 (0.45)	ENPP2PHLPP2CD40CD40LGPTPN11
SCHEMBL14374581	0.93	PHLPP2 (0.44)	ENPP2PHLPP2CD40CD40LGPTPN11
SCHEMBL13239158	0.93	ENPP2 (0.43)	ENPP2PHLPP2CD40CD40LGPTPN11
SCHEMBL13994881	0.92	PHLPP2 (0.42)	ENPP2PHLPP2CD40CD40LGPTPN11
SCHEMBL13994896	0.92	ENPP2 (0.46)	ENPP2PHLPP2CD40CD40LGCYP1A2
SCHEMBL13994864	0.91	ENPP2 (0.42)	ENPP2PHLPP2CD40CD40LGPTPN11
SCHEMBL13994982	0.90	ENPP2 (0.42)	ENPP2PHLPP2CD40CD40LGPTPN11

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20090165669-A1	Black Dye Ink for Ink-Jet Recording	BROTHER KOGYO KABUSHIKI KAISHA (JP)	2009-07-02	—	—	US	disclosed
US-20080168923-A1	Black Dye Ink for Ink-Jet Recording	BROTHER KOGYO KABUSHIKI KAISHA (JP)	2008-07-17	—	—	US	disclosed