SCHEMBL13615182

SCHEMBL13615182

COc1cc(N=Nc2cccnc2)c(C)cc1N=Nc1c(SOOO)cc2cc(S(=O)(=O)O)c(N)cc2c1O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 7/20 0.43
PHLPP2 Q6ZVD8 2/20 0.39
PTPN11 Q06124 1/20 0.38
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
MAPK1 P28482 1/20 0.34
PTPN1 P18031 2/20 0.34
MITF O75030 1/20 0.33
BRD4 O60885 2/20 0.33
HTT P42858 1/20 0.33
TP53 P04637 1/20 0.33
CREBBP Q92793 1/20 0.33
HIF1A Q16665 1/20 0.32

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
SCHEMBL13860946 0.88 ENPP2 (0.46) ENPP2PHLPP2PTPN11MEN1KMT2A
SCHEMBL13615190 0.87 PHLPP2 (0.46) ENPP2PHLPP2PTPN11MEN1KMT2A
SCHEMBL13615143 0.86 ENPP2 (0.48) ENPP2PHLPP2PTPN11MEN1KMT2A
SCHEMBL13286618 0.85 ENPP2 (0.43) ENPP2PHLPP2PTPN11MEN1KMT2A
SCHEMBL14029011 0.85 ENPP2 (0.43) ENPP2PHLPP2PTPN11MEN1KMT2A
SCHEMBL12568511 0.85 ENPP2 (0.42) ENPP2PHLPP2PTPN11MEN1KMT2A
SCHEMBL13615293 0.84 ENPP2 (0.44) ENPP2PHLPP2PTPN11MEN1KMT2A
SCHEMBL13860874 0.84 ENPP2 (0.42) ENPP2PHLPP2PTPN11MEN1KMT2A
SCHEMBL13615169 0.84 ENPP2 (0.46) ENPP2PHLPP2PTPN11MEN1KMT2A
SCHEMBL13615113 0.83 MEN1 (0.42) ENPP2PHLPP2PTPN11MEN1KMT2A

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