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SCHEMBL14013129

SCHEMBL14013129

Nc1c(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3cc(Nc4nc(F)nc(N(CCSCCO)c5ccccc5)n4)ccc3S(=O)(=O)O)c(O)c12

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.45
▸ FUT8 Q9BYC5 1/20 0.37
▸ ENPP2 Q13822 7/20 0.37
▸ CYP1A2 P05177 1/20 0.32
▸ PHLPP2 Q6ZVD8 1/20 0.31
▸ CARM1 Q86X55 1/20 0.30
▸ PRMT1 Q99873 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
SCHEMBL14013130 0.93 FUT8 (0.42) THRBFUT8ENPP2CYP1A2PHLPP2
SCHEMBL14388839 0.85 THRB (0.56) THRBFUT8ENPP2CYP1A2PHLPP2
SCHEMBL14013147 0.84 FUT8 (0.49) THRBFUT8ENPP2CYP1A2PHLPP2
SCHEMBL14038414 0.83 THRB (0.46) THRBFUT8ENPP2CYP1A2PHLPP2
SCHEMBL14388939 0.81 THRB (0.55) THRBFUT8ENPP2CYP1A2PHLPP2
SCHEMBL13340552 0.80 THRB (0.47) THRBFUT8ENPP2CYP1A2PHLPP2
SCHEMBL14346821 0.80 THRB (0.50) THRBFUT8ENPP2CYP1A2PHLPP2
SCHEMBL14388755 0.79 THRB (0.54) THRBFUT8ENPP2CYP1A2PHLPP2
SCHEMBL18801754 0.79 THRB (0.47) THRBFUT8ENPP2CYP1A2PHLPP2
SCHEMBL18832713 0.78 THRB (0.53) THRBFUT8ENPP2CYP1A2PHLPP2

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-20080280053-A1 Reactive Dyes Containing Divalent Sulfur in Non-Reactive Side Chain at Trizine Nucleus DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2008-11-13 — — US disclosed
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