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SCHEMBL15835814

SCHEMBL15835814

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

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PHLPP2 Q6ZVD8 1/20 0.41
▸ THRB P10828 1/20 0.34
▸ ENPP2 Q13822 3/20 0.33
▸ PPARG P37231 2/20 0.32
▸ PPARD Q03181 2/20 0.32
▸ PPARA Q07869 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.30
▸ HIF1A Q16665 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
SCHEMBL15835813 0.93 PHLPP2 (0.42) PHLPP2THRBENPP2ALDH1A1HIF1A
SCHEMBL15835811 0.91 PHLPP2 (0.36) PHLPP2THRBENPP2PPARA
SCHEMBL15835812 0.87 PHLPP2 (0.40) PHLPP2THRBENPP2ALDH1A1
SCHEMBL15835810 0.85 ENPP2 (0.40) PHLPP2THRBENPP2ALDH1A1
SCHEMBL14159117 0.84 PHLPP2 (0.52) PHLPP2THRBENPP2ALDH1A1HIF1A
SCHEMBL14134073 0.84 PHLPP2 (0.39) PHLPP2THRBENPP2PPARGPPARD
SCHEMBL14159105 0.83 PHLPP2 (0.53) PHLPP2THRBENPP2ALDH1A1HIF1A
SCHEMBL15835815 0.82 ENPP2 (0.41) PHLPP2THRBENPP2ALDH1A1
SCHEMBL15835809 0.80 ENPP2 (0.38) PHLPP2THRBENPP2PPARAALDH1A1
SCHEMBL14159116 0.80 PHLPP2 (0.43) PHLPP2THRBENPP2PPARAALDH1A1

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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