SCHEMBL13629441

SCHEMBL13629441

COc1ccc(C(N)=O)cc1N=Nc1ccc(N=Nc2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(N)cc3c2O)c2cc(S(=O)(=O)O)ccc12

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 8/20 0.53
PHLPP2 Q6ZVD8 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
THRB P10828 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 2/20 0.42
HIF1A Q16665 2/20 0.42
CD40 P25942 1/20 0.42
CD40LG P29965 1/20 0.42
SENP3 Q9H4L4 3/20 0.41
SENP2 Q9HC62 3/20 0.41
SENP1 Q9P0U3 3/20 0.41
CYP1A2 P05177 2/20 0.41
SUMO2 P61956 2/20 0.41
SUMO1 P63165 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL13615254 0.90 ENPP2 (0.45) ENPP2PHLPP2MEN1KMT2ATHRB
SCHEMBL14339110 0.89 ENPP2 (0.50) ENPP2PHLPP2MEN1KMT2ATHRB
SCHEMBL13629442 0.88 ALDH1A1 (0.53) ENPP2PHLPP2MEN1KMT2ATHRB
SCHEMBL13629437 0.87 MEN1 (0.46) ENPP2MEN1KMT2ATHRBTDP1
SCHEMBL13629259 0.87 CD40 (0.52) ENPP2PHLPP2MEN1KMT2ATHRB
SCHEMBL13629282 0.84 CD40 (0.49) ENPP2MEN1KMT2ATHRBTDP1
SCHEMBL9331643 0.83 ENPP2 (0.49) ENPP2PHLPP2MEN1KMT2ATHRB
SCHEMBL9331655 0.83 ENPP2 (0.49) ENPP2PHLPP2MEN1KMT2ATHRB
SCHEMBL15127524 0.83 ENPP2 (0.53) ENPP2PHLPP2MEN1KMT2ATHRB
SCHEMBL14339183 0.82 SENP3 (0.57) ENPP2PHLPP2MEN1KMT2ATHRB

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