SCHEMBL13879699

SCHEMBL13879699

COc1cc(N=Nc2cc(C)c(N=Nc3cc(S(=O)(=O)O)ccc3C(=O)O)cc2C)c(C)cc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 4/20 0.48
▸ PHLPP2 Q6ZVD8 4/20 0.46
▸ ALDH1A1 P00352 2/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CREBBP Q92793 1/20 0.38
▸ F2 P00734 2/20 0.38
▸ PRSS1 P07477 2/20 0.38
▸ PRSS2 P07478 2/20 0.38
▸ PRSS3 P35030 2/20 0.38
▸ PTPN11 Q06124 1/20 0.37
▸ S1PR3 Q99500 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ HPGD P15428 1/20 0.36

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
SCHEMBL14026027 0.85 ENPP2 (0.49) ENPP2PHLPP2ALDH1A1BRD4TP53
SCHEMBL8021383 0.84 ENPP2 (0.53) ENPP2ALDH1A1BRD4TP53CREBBP
SCHEMBL8021380 0.84 ENPP2 (0.53) ENPP2ALDH1A1BRD4TP53CREBBP
SCHEMBL19958196 0.83 ENPP2 (0.52) ENPP2PHLPP2ALDH1A1BRD4TP53
SCHEMBL12758033 0.82 ENPP2 (0.54) ENPP2PHLPP2BRD4TP53CREBBP
SCHEMBL8022246 0.81 ENPP2 (0.53) ENPP2PHLPP2ALDH1A1BRD4TP53
SCHEMBL8022243 0.81 ENPP2 (0.53) ENPP2PHLPP2ALDH1A1BRD4TP53
SCHEMBL9462033 0.81 ENPP2 (0.54) ENPP2PHLPP2BRD4F2PRSS1
SCHEMBL6123773 0.81 ENPP2 (0.54) ENPP2PHLPP2BRD4F2PRSS1
SCHEMBL11656374 0.80 ENPP2 (0.56) ENPP2PHLPP2ALDH1A1BRD4TP53

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-7514129-B2 Azo compound and polarizing film and polarizing plate each containing the same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-04-07 — — US disclosed
US-20070166483-A1 Azo compound and polarizing film and polarizing plate each containing the same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-07-19 — — US disclosed
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