SCHEMBL13629223

SCHEMBL13629223

COc1cc(N=Nc2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(N)cc3c2O)ccc1N=Nc1ccc2c(c1)C(=O)NC2=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 11/20 0.51
PHLPP2 Q6ZVD8 2/20 0.50
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
APEX1 P27695 1/20 0.42
BRCA1 P38398 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
SLC10A1 Q14973 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL13629754 0.92 ENPP2 (0.53) ENPP2PHLPP2MEN1KMT2AALDH1A1
SCHEMBL13615302 0.89 PHLPP2 (0.42) ENPP2PHLPP2MEN1KMT2AALDH1A1
SCHEMBL13629226 0.85 GLO1 (0.43) ENPP2PHLPP2MEN1KMT2ATHRB
SCHEMBL13629752 0.84 SENP3 (0.48) ENPP2PHLPP2MEN1KMT2AALDH1A1
SCHEMBL13629755 0.84 SENP3 (0.48) ENPP2PHLPP2MEN1KMT2AALDH1A1
SCHEMBL13861165 0.82 ENPP2 (0.58) ENPP2PHLPP2MEN1KMT2AALDH1A1
SCHEMBL13629221 0.82 ENPP2 (0.51) ENPP2PHLPP2MEN1KMT2AALDH1A1
SCHEMBL13615293 0.82 ENPP2 (0.44) ENPP2PHLPP2MEN1KMT2AALDH1A1
SCHEMBL13861328 0.81 SENP3 (0.55) ENPP2PHLPP2MEN1KMT2AALDH1A1
SCHEMBL13629251 0.81 ENPP2 (0.56) ENPP2PHLPP2MEN1KMT2AALDH1A1

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