SCHEMBL12568487

SCHEMBL12568487

COc1cc(N=Nc2cc(OCCO)c(N=Nc3c(SOOO)cc4cc(S(=O)(=O)O)c(N)cc4c3O)cc2OC)c(OC)cc1N=Nc1ccc2c(S(=O)(=O)O)cccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 11/20 0.42
▸ PHLPP2 Q6ZVD8 1/20 0.41
▸ PTPN11 Q06124 1/20 0.39
▸ ATIC P31939 2/20 0.38
▸ MEN1 O00255 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ BRCA1 P38398 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ SLC10A1 Q14973 1/20 0.34

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
SCHEMBL12568491 0.89 PTPN11 (0.43) ENPP2PHLPP2PTPN11ALDH1A1SENP2
SCHEMBL13615160 0.86 ENPP2 (0.44) ENPP2PHLPP2PTPN11ATICSENP2
SCHEMBL13615130 0.85 PTPN11 (0.46) ENPP2PHLPP2PTPN11MEN1ALDH1A1
SCHEMBL13615190 0.85 PHLPP2 (0.46) ENPP2PHLPP2PTPN11MEN1ALDH1A1
SCHEMBL13615143 0.84 ENPP2 (0.48) ENPP2PHLPP2PTPN11MEN1ALDH1A1
SCHEMBL12568490 0.84 PTPN11 (0.38) ENPP2PHLPP2PTPN11MEN1ALDH1A1
SCHEMBL13615169 0.84 ENPP2 (0.46) ENPP2PHLPP2PTPN11ATICMEN1
SCHEMBL13615147 0.84 ATIC (0.51) ENPP2PHLPP2PTPN11ATICMEN1
SCHEMBL12568500 0.84 ENPP2 (0.38) ENPP2PHLPP2PTPN11MEN1KMT2A
SCHEMBL12568522 0.83 PTPN11 (0.40) ENPP2PHLPP2PTPN11ATICMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960521-B2 Azo dyes, compositions for anisotropic dye films using them, anisotropic dye films and polarizing elements MITSUBISHI CHEMICAL CORPORATION (JP) 2011-06-14 — — US disclosed
US-20090267031-A1 AZO DYE, COMPOSITION CONTAINING THE SAME FOR ANISOTROPIC DYE FILM, ANISOTROPIC DYE FILM, AND POLARIZING ELEMENT MITSUBISHI CHEMICAL CORPORATION (JP) 2009-10-29 — — US disclosed
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