SCHEMBL13629754

SCHEMBL13629754

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 8/20 0.53
PHLPP2 Q6ZVD8 2/20 0.44
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
PTPN1 P18031 2/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
SENP2 Q9HC62 2/20 0.38
SENP1 Q9P0U3 2/20 0.38
SUMO2 P61956 1/20 0.38
SUMO1 P63165 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP3 Q9H4L4 1/20 0.37
BRD4 O60885 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
SCHEMBL13629223 0.92 ENPP2 (0.51) ENPP2PHLPP2MEN1KMT2AHTT
SCHEMBL13615293 0.90 ENPP2 (0.44) ENPP2PHLPP2MEN1KMT2AHTT
SCHEMBL13629276 0.84 ENPP2 (0.64) ENPP2PHLPP2MEN1KMT2AHTT
SCHEMBL15251153 0.83 ENPP2 (0.58) ENPP2PHLPP2MEN1KMT2AHTT
SCHEMBL13629221 0.82 ENPP2 (0.51) ENPP2PHLPP2MEN1KMT2AHTT
SCHEMBL13629251 0.82 ENPP2 (0.56) ENPP2PHLPP2MEN1KMT2AHTT
SCHEMBL13629245 0.81 PHLPP2 (0.55) ENPP2PHLPP2MEN1KMT2AALDH1A1
SCHEMBL13629264 0.81 ENPP2 (0.48) ENPP2PHLPP2MEN1KMT2AHTT
SCHEMBL13615302 0.81 PHLPP2 (0.42) ENPP2PHLPP2MEN1KMT2AALDH1A1
SCHEMBL13287479 0.81 ENPP2 (0.57) ENPP2PHLPP2MEN1KMT2AHTT

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