SCHEMBL13629249

Cc1cc(/N=N/c2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(N)cc3c2O)c(OCC(O)CO)cc1/N=N/c1ccc([N+](=O)[O-])c(C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	ENPP2	Q13822	11/20	0.43

▸	PHLPP2	Q6ZVD8	4/20	0.37

▸	CA2	P00918	1/20	0.35

▸	CA3	P07451	1/20	0.35

▸	MEN1	O00255	1/20	0.34

▸	HTT	P42858	1/20	0.34

▸	KMT2A	Q03164	1/20	0.34

▸	CD40	P25942	1/20	0.34

▸	CD40LG	P29965	1/20	0.34

▸	ALDH1A1	P00352	1/20	0.32

▸	HIF1A	Q16665	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
SCHEMBL13615221	0.92	ENPP2 (0.37)	ENPP2PHLPP2
SCHEMBL13936095	0.85	ENPP2 (0.46)	ENPP2PHLPP2CA2CA3MEN1
SCHEMBL13629751	0.84	PTPN11 (0.42)	ENPP2PHLPP2MEN1HTTKMT2A
SCHEMBL13629248	0.83	ENPP2 (0.46)	ENPP2PHLPP2CA2CA3MEN1
SCHEMBL12568526	0.83	ENPP2 (0.38)	ENPP2PHLPP2
SCHEMBL12568496	0.82	PHLPP2 (0.41)	ENPP2PHLPP2CA2CA3ALDH1A1
SCHEMBL13629257	0.82	ENPP2 (0.44)	ENPP2PHLPP2CA2CA3MEN1
SCHEMBL13629749	0.78	PTPN11 (0.44)	ENPP2PHLPP2MEN1HTTKMT2A
SCHEMBL13921664	0.77	ENPP2 (0.38)	ENPP2PHLPP2CA2CA3MEN1
SCHEMBL13615320	0.76	PTPN11 (0.43)	ENPP2PHLPP2HIF1A

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-20090275742-A1	COLORING MATTER FOR ANISOTROPIC COLORING MATTER FILM, COMPOSITION COMPRISING SAID COLORING MATTER, ANISOTROPIC COLORING MATTER FILM, AND POLARIZING ELEMENT	MITSUBISHI CHEMICAL CORPORATION (JP)	2009-11-05	—	—	US	disclosed