SCHEMBL13615302

SCHEMBL13615302

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHLPP2 Q6ZVD8 2/20 0.42
ENPP2 Q13822 9/20 0.41
MEN1 O00255 3/20 0.37
MAPK1 P28482 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP3A4 P08684 2/20 0.37
THRB P10828 2/20 0.37
HPGD P15428 2/20 0.37
APEX1 P27695 2/20 0.37
RECQL P46063 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
BRCA1 P38398 1/20 0.37
BLM P54132 1/20 0.37
SLC10A1 Q14973 1/20 0.37

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
SCHEMBL13615293 0.93 ENPP2 (0.44) PHLPP2ENPP2MEN1MAPK1KMT2A
SCHEMBL13629223 0.89 ENPP2 (0.51) PHLPP2ENPP2MEN1MAPK1KMT2A
SCHEMBL13615310 0.88 GLO1 (0.39) PHLPP2ENPP2MEN1KMT2ATHRB
SCHEMBL13615296 0.87 SENP3 (0.42) PHLPP2ENPP2MEN1KMT2AALDH1A1
SCHEMBL13615315 0.87 SENP3 (0.42) PHLPP2ENPP2MEN1KMT2AALDH1A1
SCHEMBL13921654 0.87 SENP3 (0.42) PHLPP2ENPP2MEN1KMT2AALDH1A1
SCHEMBL13615308 0.85 ALDH1A1 (0.42) PHLPP2ENPP2MEN1KMT2AALDH1A1
SCHEMBL13860923 0.85 ENPP2 (0.43) PHLPP2ENPP2MEN1MAPK1KMT2A
SCHEMBL13860927 0.84 PHLPP2 (0.45) PHLPP2ENPP2MEN1MAPK1KMT2A
SCHEMBL13860930 0.84 ENPP2 (0.45) PHLPP2ENPP2MEN1MAPK1KMT2A

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