SCHEMBL13340546

SCHEMBL13340546

Nc1c(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2)c(S(=O)(=O)O)cc2cc(SOOO)c(/N=N/c3ccc4cc(S(=O)(=O)CCOSOOO)ccc4c3S(=O)(=O)O)c(O)c12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.47
▸ ENPP2 Q13822 8/20 0.42
▸ PHLPP2 Q6ZVD8 2/20 0.34
▸ CD40 P25942 1/20 0.33
▸ CD40LG P29965 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ SUMO2 P61956 1/20 0.32
▸ SUMO1 P63165 1/20 0.32
▸ SENP7 Q9BQF6 1/20 0.32
▸ SENP2 Q9HC62 1/20 0.32
▸ CA2 P00918 1/20 0.31
▸ CA3 P07451 1/20 0.31
▸ PTPN11 Q06124 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
SCHEMBL12053435 0.92 THRB (0.51) THRBENPP2PHLPP2CD40CD40LG
SCHEMBL12052807 0.91 THRB (0.55) THRBENPP2PHLPP2MEN1HTT
SCHEMBL12053475 0.90 THRB (0.45) THRBENPP2PHLPP2CD40CD40LG
SCHEMBL14362740 0.90 THRB (0.49) THRBENPP2PHLPP2CD40CD40LG
SCHEMBL13340498 0.89 THRB (0.51) THRBENPP2PHLPP2CYP1A2SUMO2
SCHEMBL13340917 0.88 THRB (0.48) THRBENPP2PHLPP2MEN1HTT
SCHEMBL12053451 0.88 THRB (0.48) THRBENPP2PHLPP2MEN1HTT
SCHEMBL12053428 0.88 THRB (0.48) THRBENPP2PHLPP2MEN1HTT
SCHEMBL13881010 0.87 THRB (0.44) THRBENPP2PHLPP2MEN1HTT
SCHEMBL14011841 0.86 THRB (0.57) THRBENPP2PHLPP2MEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7708786-B2 Dye mixtures of fiber-reactive azo dyes, their preparation and use DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2010-05-04 — — US disclosed
US-20090025152-A1 DYE MIXTURES OF FIBER-REACTIVE AZO DYES, THEIR PREPARATION AND USE DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2009-01-29 — — US disclosed
US-7455699-B2 Dye mixtures of fiber-reactive azo dyes, their preparation and use DYSTAR TEXILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2008-11-25 — — US disclosed
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