SCHEMBL13629239

SCHEMBL13629239

COc1cc(N=Nc2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(N)cc3c2O)c(OC)cc1N=Nc1ccc(C#N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 9/20 0.52
PHLPP2 Q6ZVD8 2/20 0.48
CA2 P00918 1/20 0.44
CA3 P07451 1/20 0.44
CD40 P25942 1/20 0.42
CD40LG P29965 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
APEX1 P27695 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
SCHEMBL13629245 0.89 PHLPP2 (0.55) ENPP2PHLPP2CA2CA3CD40
SCHEMBL14351159 0.85 ENPP2 (0.53) ENPP2PHLPP2CA2CA3CD40
SCHEMBL13629218 0.84 ENPP2 (0.64) ENPP2PHLPP2CA2CA3CD40
SCHEMBL14351144 0.83 PHLPP2 (0.52) ENPP2PHLPP2CA2CA3CD40
SCHEMBL13629264 0.83 ENPP2 (0.48) ENPP2PHLPP2CA2CA3CD40
SCHEMBL13936088 0.83 CD40 (0.51) ENPP2PHLPP2CA2CA3CD40
SCHEMBL13774651 0.83 CD40 (0.51) ENPP2PHLPP2CA2CA3CD40
SCHEMBL13629248 0.82 ENPP2 (0.46) ENPP2PHLPP2CA2CA3CD40
SCHEMBL14351151 0.81 ENPP2 (0.50) ENPP2PHLPP2CA2CA3CD40
SCHEMBL13861165 0.81 ENPP2 (0.58) ENPP2PHLPP2CA2CA3CD40

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