Sugi Predict

Sugi Predict / Compounds / SCHEMBL14134309

SCHEMBL14134309

SCHEMBL14134309

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(S(=O)(=O)CCOS(=O)(=O)O)cc2)c1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.36
▸ THRB P10828 1/20 0.30

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
SCHEMBL14134072 0.98 ENPP2 (0.36) ENPP2
SCHEMBL16309282 0.87 ENPP2 (0.43) ENPP2THRB
SCHEMBL15835815 0.81 ENPP2 (0.41) ENPP2THRB
SCHEMBL15835810 0.79 ENPP2 (0.40) ENPP2THRB
SCHEMBL24019208 0.76 PHLPP2 (0.42) ENPP2THRB
SCHEMBL24019203 0.76 THRB (0.45) ENPP2THRB
SCHEMBL15835809 0.74 ENPP2 (0.38) ENPP2THRB
SCHEMBL17384289 0.73 THRB (0.45) ENPP2THRB
SCHEMBL14159105 0.71 PHLPP2 (0.53) ENPP2THRB
SCHEMBL14546978 0.71 ENPP2 (0.51) ENPP2THRB

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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