SCHEMBL14159126

SCHEMBL14159126

Cc1ccc(N=Nc2c(N)c(/N=N\c3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3)c(N)c(N=Nc3ccc4cc(SOCC(N)(COO)C(=C=O)COO)ccc4c3S(=O)(=O)O)c2C(=O)O)cc1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PHLPP2 Q6ZVD8 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ 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
SCHEMBL14159102 0.97 THRB (0.32) THRB
SCHEMBL14159121 0.91 THRB (0.32) THRB
SCHEMBL14159107 0.87 THRB (0.34) THRB
SCHEMBL14159117 0.74 PHLPP2 (0.52) PHLPP2CYP1A2CYP2C9THRB
SCHEMBL14159105 0.73 PHLPP2 (0.53) PHLPP2CYP1A2CYP2C9THRB
SCHEMBL14159115 0.73 PHLPP2 (0.41) PHLPP2CYP1A2CYP2C9THRB
SCHEMBL13387236 0.71 PHLPP2 (0.42) PHLPP2CYP1A2CYP2C9THRB
SCHEMBL24019202 0.71 THRB (0.42) PHLPP2CYP1A2CYP2C9THRB
SCHEMBL14159120 0.70 PHLPP2 (0.38) PHLPP2THRB
SCHEMBL14159113 0.70 THRB (0.37) PHLPP2THRB

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-7390889-B1 Trisazo reactive dyestuff compound EVERLIGHT USA, INC. (US) 2008-06-24 — — US disclosed
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