SCHEMBL14134407

SCHEMBL14134407

C=C(Cc1ccc(N=Nc2cc(S(=O)(=O)O)c(N=Nc3c(N)c(N=Nc4ccc(C)cc4)c(N)c(N=Nc4ccc(S(=O)(=O)CCOS(=O)(=O)O)cc4)c3C(=O)O)cc2CO)cc1)OS(=O)(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PHLPP2 Q6ZVD8 1/20 0.37
▸ THRB P10828 2/20 0.35
▸ ENPP2 Q13822 2/20 0.32
▸ CYP1A2 P05177 2/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ APP P05067 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ SNCA P37840 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ STAT6 P42226 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ SLC7A11 Q9UPY5 1/20 0.31

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
SCHEMBL14134073 0.90 PHLPP2 (0.39) PHLPP2THRBENPP2CYP1A2CYP2C9
SCHEMBL15835812 0.88 PHLPP2 (0.40) PHLPP2THRBENPP2CYP1A2CYP2C9
SCHEMBL14134318 0.87 THRB (0.39) PHLPP2THRBENPP2CYP1A2MEN1
SCHEMBL14159117 0.82 PHLPP2 (0.52) PHLPP2THRBENPP2CYP1A2CYP2C9
SCHEMBL14159105 0.82 PHLPP2 (0.53) PHLPP2THRBENPP2CYP1A2CYP2C9
SCHEMBL13387236 0.79 PHLPP2 (0.42) PHLPP2THRBENPP2CYP1A2CYP2C9
SCHEMBL24019203 0.78 THRB (0.45) PHLPP2THRBENPP2CYP1A2CYP2C9
SCHEMBL14159116 0.77 PHLPP2 (0.43) PHLPP2THRBENPP2CYP1A2CYP2C9
SCHEMBL14159099 0.77 THRB (0.43) PHLPP2THRBENPP2CYP1A2CYP2C9
SCHEMBL24019208 0.76 PHLPP2 (0.42) PHLPP2THRBENPP2CYP1A2MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8911509-B2 Mixtures of fibre-reactive dyes and their use in a method for di- or trichromatic dyeing or printing HUNTSMAN INTERNATIONAL LLC (US) 2014-12-16 — — US disclosed
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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