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SCHEMBL15835811

SCHEMBL15835811

Cc1ccc(N=Nc2c(N)c(N=Nc3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3)c(C(=O)O)c(N=Nc3cc(NC(N)=O)c(N=Nc4ccc(CCCOS(=O)(=O)O)cc4S(=O)(=O)O)cc3OCCO)c2N)cc1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PHLPP2 Q6ZVD8 1/20 0.36
▸ ENPP2 Q13822 2/20 0.35
▸ THRB P10828 1/20 0.33
▸ PPARA Q07869 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
SCHEMBL15835814 0.91 PHLPP2 (0.41) PHLPP2ENPP2THRBPPARA
SCHEMBL15835810 0.90 ENPP2 (0.40) PHLPP2ENPP2THRB
SCHEMBL15835815 0.87 ENPP2 (0.41) PHLPP2ENPP2THRB
SCHEMBL15835809 0.86 ENPP2 (0.38) PHLPP2ENPP2THRBPPARA
SCHEMBL15835813 0.85 PHLPP2 (0.42) PHLPP2ENPP2THRB
SCHEMBL15835812 0.84 PHLPP2 (0.40) PHLPP2ENPP2THRB
SCHEMBL14159117 0.81 PHLPP2 (0.52) PHLPP2ENPP2THRB
SCHEMBL14134073 0.81 PHLPP2 (0.39) PHLPP2ENPP2THRBPPARA
SCHEMBL16309282 0.80 ENPP2 (0.43) PHLPP2ENPP2THRB
SCHEMBL14159105 0.80 PHLPP2 (0.53) PHLPP2ENPP2THRB

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-20140173835-A1 Mixtures of Reactive Dyes and Their Use HUNTSMAN INTERNATIONAL LLC (US) 2014-06-26 — — US disclosed
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