SCHEMBL13629439

SCHEMBL13629439

Nc1ccc2cc(S(=O)(=O)O)c(/N=N/c3ccc(/N=N/c4ccc(OCC(O)CO)cc4)c4ccc(S(=O)(=O)O)cc34)c(O)c2c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 10/20 0.43
CD40 P25942 1/20 0.42
CD40LG P29965 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SENP3 Q9H4L4 2/20 0.41
SENP2 Q9HC62 2/20 0.41
SENP1 Q9P0U3 2/20 0.41
SUMO2 P61956 1/20 0.41
SUMO1 P63165 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
PHLPP2 Q6ZVD8 2/20 0.40
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL13629435 0.92 ENPP2 (0.45) ENPP2CD40CD40LGCYP2C9CYP2C19
SCHEMBL13615268 0.89 CYP2C9 (0.39) ENPP2CD40CD40LGCYP2C9CYP2C19
SCHEMBL7591307 0.85 CD40 (0.55) ENPP2CD40CD40LGCYP2C9CYP2C19
SCHEMBL9331800 0.85 CD40 (0.55) ENPP2CD40CD40LGCYP2C9CYP2C19
SCHEMBL13629299 0.85 ENPP2 (0.43) ENPP2CD40CD40LGCYP2C9CYP2C19
SCHEMBL13615256 0.84 ENPP2 (0.40) ENPP2CD40CD40LGCYP2C9CYP2C19
SCHEMBL7583791 0.80 MEN1 (0.54) ENPP2CD40CD40LGCYP2C9CYP2C19
SCHEMBL9331723 0.80 MEN1 (0.54) ENPP2CD40CD40LGCYP2C9CYP2C19
SCHEMBL9331711 0.80 MEN1 (0.54) ENPP2CD40CD40LGCYP2C9CYP2C19
SCHEMBL9335138 0.79 MEN1 (0.51) ENPP2CD40CD40LGCYP2C9CYP2C19

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1867684-A1 COLORING MATTER FOR ANISOTROPIC COLORING MATTER FILM, COMPOSITION COMPRISING SAID COLORING MATTER, ANISOTROPIC COLORING MATTER FILM, AND POLARIZING ELEMENT Mitsubishi Chemical Corporation (JP) 2007-12-19 EP disclosed