SCHEMBL13629218

SCHEMBL13629218

COc1cc(N=Nc2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(N)cc3c2O)c(OC)cc1N=Nc1ccc2ccc(S(=O)(=O)O)cc2c1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 11/20 0.64
PHLPP2 Q6ZVD8 1/20 0.47
CD40 P25942 1/20 0.47
CD40LG P29965 1/20 0.47
CYP1A2 P05177 1/20 0.46
CA2 P00918 1/20 0.45
CA3 P07451 1/20 0.45
SUMO2 P61956 1/20 0.44
SUMO1 P63165 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP3 Q9H4L4 1/20 0.44
SENP2 Q9HC62 1/20 0.44
SENP1 Q9P0U3 1/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HIF1A Q16665 1/20 0.43

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
SCHEMBL13629276 0.87 ENPP2 (0.64) ENPP2PHLPP2CD40CD40LGCYP1A2
SCHEMBL13629216 0.86 ENPP2 (0.54) ENPP2PHLPP2CD40CD40LGCYP1A2
SCHEMBL14351159 0.86 ENPP2 (0.53) ENPP2PHLPP2CD40CD40LGCYP1A2
SCHEMBL13629245 0.86 PHLPP2 (0.55) ENPP2PHLPP2CD40CD40LGCYP1A2
SCHEMBL13629239 0.84 ENPP2 (0.52) ENPP2PHLPP2CD40CD40LGCYP1A2
SCHEMBL13861165 0.84 ENPP2 (0.58) ENPP2PHLPP2CD40CD40LGCA2
SCHEMBL15251153 0.84 ENPP2 (0.58) ENPP2PHLPP2CYP1A2SUMO2SUMO1
SCHEMBL31489850 0.84 PHLPP2 (0.55) ENPP2PHLPP2CD40CD40LGCA2
SCHEMBL13629250 0.83 ENPP2 (0.59) ENPP2PHLPP2CD40CD40LGCYP1A2
SCHEMBL19958247 0.83 ENPP2 (0.67) ENPP2PHLPP2CD40CD40LGCYP1A2

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.

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