SCHEMBL13860874

SCHEMBL13860874

COc1cc(N=Nc2cccc(SOOO)c2)c(C)cc1N=Nc1cc(OC)c(N=Nc2c(SOOO)cc3cc(S(=O)(=O)O)c(N)cc3c2O)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 8/20 0.42
PHLPP2 Q6ZVD8 2/20 0.40
PTPN11 Q06124 1/20 0.39
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX12 P18054 1/20 0.36
CYP2C19 P33261 1/20 0.36
BLM P54132 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
MPL P40238 1/20 0.35

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
SCHEMBL14029011 0.92 ENPP2 (0.43) ENPP2PHLPP2PTPN11MEN1ALDH1A1
SCHEMBL13286618 0.92 ENPP2 (0.43) ENPP2PHLPP2PTPN11MEN1ALDH1A1
SCHEMBL13615160 0.91 ENPP2 (0.44) ENPP2PHLPP2PTPN11MPLSENP2
SCHEMBL13860864 0.90 PTPN11 (0.44) ENPP2PHLPP2PTPN11MEN1ALDH1A1
SCHEMBL13860879 0.90 PHLPP2 (0.47) ENPP2PHLPP2PTPN11MEN1ALDH1A1
SCHEMBL13860890 0.89 PHLPP2 (0.43) ENPP2PHLPP2PTPN11MEN1ALDH1A1
SCHEMBL13860946 0.88 ENPP2 (0.46) ENPP2PHLPP2PTPN11MEN1ALDH1A1
SCHEMBL13615143 0.87 ENPP2 (0.48) ENPP2PHLPP2PTPN11MEN1ALDH1A1
SCHEMBL12568522 0.87 PTPN11 (0.40) ENPP2PHLPP2PTPN11MEN1ALDH1A1
SCHEMBL12568511 0.86 ENPP2 (0.42) ENPP2PHLPP2PTPN11MEN1ALDH1A1

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-7527862-B2 Dyes for anisotropic dye films, dye compositions for anisotropic dye films, anisotropic dye films and polarizing elements MITSUBISHI CHEMICAL CORPORATION (JP) 2009-05-05 US disclosed