Sugi Predict

Sugi Predict / Compounds / SCHEMBL14134072

SCHEMBL14134072

SCHEMBL14134072

COc1cc(/N=N/c2ccc(OOOCOOSCOS)cc2)c(NC(C)=O)cc1/N=N/c1c(N)c(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2S(=O)(=O)O)c(N)c(/N=N/c2ccc(C)cc2)c1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.36
▸ PHLPP2 Q6ZVD8 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
SCHEMBL14134309 0.98 ENPP2 (0.36) ENPP2
SCHEMBL16309282 0.85 ENPP2 (0.43) ENPP2PHLPP2
SCHEMBL15835810 0.82 ENPP2 (0.40) ENPP2PHLPP2
SCHEMBL15835815 0.79 ENPP2 (0.41) ENPP2PHLPP2
SCHEMBL15835809 0.77 ENPP2 (0.38) ENPP2PHLPP2
SCHEMBL14159117 0.75 PHLPP2 (0.52) ENPP2PHLPP2
SCHEMBL24019208 0.74 PHLPP2 (0.42) ENPP2PHLPP2
SCHEMBL14159105 0.74 PHLPP2 (0.53) ENPP2PHLPP2
SCHEMBL24019203 0.74 THRB (0.45) ENPP2PHLPP2
SCHEMBL15835813 0.74 PHLPP2 (0.42) ENPP2PHLPP2

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-20120302486-A1 Mixtures of Fibre-Reactive Dyes and Their Use in a Method for Di- or Trichromatic Dyeing or Printing HUNTSMAN INTERNATIONAL LLC (US) 2012-11-29 — — US disclosed
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