SCHEMBL13994977

Cc1ccc(S(=O)(=O)Oc2cc(S(=O)(=O)O)cc3c(S(=O)(=O)O)c(N=Nc4c(S(=O)(=O)O)cc5cc(SOOO)c(N=Nc6ccc7c(O)c(N=Nc8ccccc8S(=O)(=O)O)c(SOOO)cc7c6)c(O)c5c4N)ccc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	ENPP2	Q13822	14/20	0.40

▸	CYP1A2	P05177	2/20	0.37

▸	CD40	P25942	1/20	0.36

▸	CD40LG	P29965	1/20	0.36

▸	PHLPP2	Q6ZVD8	2/20	0.35

▸	MEN1	O00255	1/20	0.35

▸	HTT	P42858	1/20	0.35

▸	KMT2A	Q03164	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
SCHEMBL14374883	0.92	ENPP2 (0.36)	ENPP2CYP1A2CD40CD40LGPHLPP2
SCHEMBL13997566	0.92	ENPP2 (0.47)	ENPP2CYP1A2CD40CD40LGPHLPP2
SCHEMBL13994986	0.88	ENPP2 (0.46)	ENPP2CYP1A2CD40CD40LG
SCHEMBL14400901	0.85	ENPP2 (0.44)	ENPP2CYP1A2CD40CD40LGPHLPP2
SCHEMBL14268599	0.83	CYP1A2 (0.41)	ENPP2CYP1A2PHLPP2MEN1KMT2A
SCHEMBL13994970	0.82	CYP1A2 (0.42)	ENPP2CYP1A2PHLPP2MEN1HTT
SCHEMBL1108411	0.82	ENPP2 (0.45)	ENPP2CYP1A2CD40CD40LGPHLPP2
SCHEMBL12052419	0.82	ENPP2 (0.45)	ENPP2CYP1A2CD40CD40LGPHLPP2
SCHEMBL13994995	0.81	ENPP2 (0.36)	ENPP2CD40CD40LGPHLPP2MEN1
SCHEMBL14374885	0.80	ENPP2 (0.39)	ENPP2CYP1A2CD40CD40LGPHLPP2

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-7462228-B2	Water-base black ink composition and colored product	NIPPON KAYAKU KABUSHIKI KAISHA (JP)	2008-12-09	—	—	US	disclosed