SCHEMBL14134318

SCHEMBL14134318

C=C(Cc1ccc(N=Nc2c(N)c(N=Nc3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3)c(N)c(N=Nc3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3)c2C(=O)O)c(S(=O)(=O)O)c1)OS(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.39
▸ ENPP2 Q13822 3/20 0.39
▸ PHLPP2 Q6ZVD8 3/20 0.38
▸ CYP1A2 P05177 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ STAT6 P42226 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ CD40 P25942 1/20 0.32
▸ CD40LG P29965 1/20 0.32
▸ SUMO2 P61956 2/20 0.32
▸ SUMO1 P63165 2/20 0.32
▸ SENP7 Q9BQF6 2/20 0.32
▸ SENP2 Q9HC62 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ APP P05067 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ SNCA P37840 1/20 0.32

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
SCHEMBL24019203 0.88 THRB (0.45) THRBENPP2PHLPP2CYP1A2CYP3A4
SCHEMBL14134407 0.87 PHLPP2 (0.37) THRBENPP2PHLPP2CYP1A2CYP3A4
SCHEMBL14159099 0.85 THRB (0.43) THRBENPP2PHLPP2CYP1A2CYP3A4
SCHEMBL17384289 0.84 THRB (0.45) THRBENPP2PHLPP2CYP1A2CYP3A4
SCHEMBL14159105 0.84 PHLPP2 (0.53) THRBENPP2PHLPP2CYP1A2CYP3A4
SCHEMBL14159117 0.84 PHLPP2 (0.52) THRBENPP2PHLPP2CYP1A2CYP3A4
SCHEMBL17384215 0.83 THRB (0.43) THRBENPP2PHLPP2CYP1A2CYP3A4
SCHEMBL24019208 0.83 PHLPP2 (0.42) THRBENPP2PHLPP2CYP1A2CYP3A4
SCHEMBL14159095 0.82 THRB (0.43) THRBENPP2PHLPP2CYP1A2CYP3A4
SCHEMBL13386969 0.82 THRB (0.43) THRBENPP2PHLPP2CYP1A2CYP3A4

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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