SCHEMBL14339486

SCHEMBL14339486

COc1cc(N=Nc2c(SOOO)cc3ccc(N=Nc4cc(S(=O)(=O)O)c(N)cc4N)cc3c2O)c(OC)cc1N=Nc1ccc(CO)c(SOOO)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 1/20 0.39
▸ PHLPP2 Q6ZVD8 1/20 0.39
▸ ENPP2 Q13822 5/20 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
▸ POLB P06746 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ SENP2 Q9HC62 4/20 0.33
▸ SENP1 Q9P0U3 4/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ BRCA1 P38398 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
SCHEMBL14339484 0.91 PHLPP2 (0.42) PTPN11PHLPP2ENPP2MEN1ALDH1A1
SCHEMBL14339492 0.91 ENPP2 (0.41) PTPN11PHLPP2ENPP2MEN1ALDH1A1
SCHEMBL14339482 0.82 ENPP2 (0.44) PTPN11PHLPP2ENPP2MEN1ALDH1A1
SCHEMBL13615130 0.82 PTPN11 (0.46) PTPN11PHLPP2ENPP2MEN1ALDH1A1
SCHEMBL13615190 0.81 PHLPP2 (0.46) PTPN11PHLPP2ENPP2MEN1ALDH1A1
SCHEMBL14351159 0.81 ENPP2 (0.53) PHLPP2ENPP2MEN1ALDH1A1MAPT
SCHEMBL14351144 0.79 PHLPP2 (0.52) PHLPP2ENPP2MEN1ALDH1A1MAPT
SCHEMBL13615319 0.79 ENPP2 (0.40) PTPN11PHLPP2ENPP2MEN1ALDH1A1
SCHEMBL13860946 0.78 ENPP2 (0.46) PTPN11PHLPP2ENPP2MEN1ALDH1A1
SCHEMBL12568487 0.78 ENPP2 (0.42) PTPN11PHLPP2ENPP2MEN1ALDH1A1

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-20070287830-A1 Trisazo Dye, Composition Containing the Same for Anisotropic Dye Film, Anisotropic Dye Film, and Polarizing Element MITSUBISHI CHEMICAL CORPORATION (JP) 2007-12-13 — — US disclosed
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