SCHEMBL12721364

COc1cc(/N=N/c2cc(C)cc(C(=O)O)c2)ccc1Nc1nc(Nc2ccc(/N=N/c3cc(S(=O)(=O)O)c4cccc(S(=O)(=O)O)c4c3)cc2)nc(N(CCO)CCO)n1

nearest known ligand 0.37

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	ENPP2	Q13822	1/20	0.37

▸	ATIC	P31939	1/20	0.33

▸	SUMO2	P61956	1/20	0.33

▸	SUMO1	P63165	1/20	0.33

▸	SENP7	Q9BQF6	1/20	0.33

▸	SENP2	Q9HC62	1/20	0.33

▸	RAD52	P43351	1/20	0.32

▸	NCOA3	Q9Y6Q9	1/20	0.32

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
SCHEMBL12721300	0.96	ENPP2 (0.37)	ENPP2ATICSUMO2SUMO1SENP7
SCHEMBL13963998	0.90	CA12 (0.37)	ENPP2ATICSUMO2SUMO1SENP7
SCHEMBL12754638	0.88	ENPP2 (0.34)	ENPP2ATICSUMO2SUMO1SENP7
SCHEMBL12721285	0.87	ATIC (0.37)	ENPP2ATICSUMO2SUMO1SENP7
SCHEMBL13151877	0.83	ENPP2 (0.40)	ENPP2ATICSUMO2SUMO1SENP7
SCHEMBL12754235	0.80	ATIC (0.36)	ATICSUMO2SUMO1SENP7SENP2
SCHEMBL13963831	0.76	ATIC (0.38)	ENPP2ATICSUMO2SUMO1SENP7
SCHEMBL12721291	0.76	PTPN11 (0.35)	—
SCHEMBL13963995	0.76	ATIC (0.33)	ATICSUMO2SUMO1SENP7SENP2
SCHEMBL12721327	0.76	RECQL (0.42)	ATICSUMO2SUMO1SENP7SENP2

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-7927411-B2	Compound, ink, process and use	FUJIFILM IMAGING COLORANTS LIMITED (GB)	2011-04-19	—	—	US	disclosed
US-20100196675-A1	Compound, Ink, Process and Use	FUJIFILM IMAGING COLORANTS LIMITED (GB)	2010-08-05	—	—	US	disclosed