SCHEMBL13388581

COc1ccc(N=Nc2c(S(=O)(=O)O)cc3ccc(N=Nc4c(S(=O)(=O)O)cc5cc(SOOO)c(N=Nc6ccc7c(O)c(N=Nc8ccccc8S(=O)(=O)O)c(SOOO)cc7c6)c(O)c5c4N)cc3c2O)c(SOOO)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	ENPP2	Q13822	13/20	0.47

▸	PHLPP2	Q6ZVD8	2/20	0.42

▸	PTPN11	Q06124	1/20	0.38

▸	CD40	P25942	1/20	0.37

▸	CD40LG	P29965	1/20	0.37

▸	CYP1A2	P05177	2/20	0.37

▸	CYP2C9	P11712	1/20	0.35

▸	MAPK1	P28482	1/20	0.35

▸	DNASE1L3	Q13609	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
SCHEMBL13994860	0.99	ENPP2 (0.45)	ENPP2PHLPP2PTPN11CD40CD40LG
SCHEMBL13779694	0.95	ENPP2 (0.45)	ENPP2PHLPP2PTPN11CD40CD40LG
SCHEMBL13779693	0.95	ENPP2 (0.45)	ENPP2PHLPP2PTPN11CD40CD40LG
SCHEMBL13994856	0.94	ENPP2 (0.42)	ENPP2PHLPP2PTPN11CD40CD40LG
SCHEMBL1108411	0.94	ENPP2 (0.45)	ENPP2PHLPP2PTPN11CD40CD40LG
SCHEMBL12052419	0.94	ENPP2 (0.45)	ENPP2PHLPP2PTPN11CD40CD40LG
SCHEMBL14445776	0.94	ENPP2 (0.45)	ENPP2PHLPP2PTPN11CD40CD40LG
SCHEMBL13994866	0.93	ENPP2 (0.43)	ENPP2PHLPP2PTPN11CD40CD40LG
SCHEMBL13239158	0.93	ENPP2 (0.43)	ENPP2PHLPP2PTPN11CD40CD40LG
SCHEMBL13994901	0.92	PTPN11 (0.41)	ENPP2PHLPP2PTPN11CD40CD40LG

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-7704311-B2	Ink composition, manufacturing method of ink, ink set, and recording method	FUJIFILM CORPORATION (JP)	2010-04-27	—	—	US	disclosed