SCHEMBL13615293

SCHEMBL13615293

COc1cc(N=Nc2ccc3c(c2)C(=O)NC3=O)c(C)cc1N=Nc1c(SOOO)cc2cc(S(=O)(=O)O)c(N)cc2c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 8/20 0.44
PHLPP2 Q6ZVD8 1/20 0.38
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 2/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
PTPN1 P18031 2/20 0.34
SENP2 Q9HC62 2/20 0.33
SENP1 Q9P0U3 2/20 0.33
SUMO2 P61956 1/20 0.33
SUMO1 P63165 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
PTPN11 Q06124 1/20 0.33
SENP3 Q9H4L4 1/20 0.33
HTT P42858 1/20 0.33
TP53 P04637 2/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL13615302 0.93 PHLPP2 (0.42) ENPP2PHLPP2MEN1KMT2AALDH1A1
SCHEMBL13629754 0.90 ENPP2 (0.53) ENPP2PHLPP2MEN1KMT2AALDH1A1
SCHEMBL13860946 0.88 ENPP2 (0.46) ENPP2PHLPP2MEN1KMT2AALDH1A1
SCHEMBL13615143 0.87 ENPP2 (0.48) ENPP2PHLPP2MEN1KMT2AALDH1A1
SCHEMBL12568511 0.86 ENPP2 (0.42) ENPP2PHLPP2MEN1KMT2AALDH1A1
SCHEMBL13615308 0.85 ALDH1A1 (0.42) ENPP2PHLPP2MEN1KMT2AALDH1A1
SCHEMBL13615182 0.84 ENPP2 (0.43) ENPP2PHLPP2MEN1KMT2AALDH1A1
SCHEMBL13615190 0.84 PHLPP2 (0.46) ENPP2PHLPP2MEN1KMT2AALDH1A1
SCHEMBL13615310 0.84 GLO1 (0.39) ENPP2PHLPP2MEN1KMT2ASENP2
SCHEMBL13615319 0.84 ENPP2 (0.40) 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