SCHEMBL14388755

SCHEMBL14388755

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(Nc4cc(F)nc(F)n4)ccc3S(=O)(=O)O)c(O)c12

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.54
▸ ENPP2 Q13822 10/20 0.40
▸ PHLPP2 Q6ZVD8 1/20 0.36
▸ FUT8 Q9BYC5 1/20 0.36
▸ CD40 P25942 1/20 0.35
▸ CD40LG P29965 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CA2 P00918 1/20 0.33
▸ CA3 P07451 1/20 0.33
▸ PRMT1 Q99873 1/20 0.33

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
SCHEMBL12053453 0.92 THRB (0.46) THRBENPP2PHLPP2FUT8CD40
SCHEMBL14388839 0.90 THRB (0.56) THRBENPP2PHLPP2FUT8CD40
SCHEMBL13880589 0.88 THRB (0.53) THRBENPP2PHLPP2FUT8CD40
SCHEMBL18832713 0.88 THRB (0.53) THRBENPP2PHLPP2FUT8CD40
SCHEMBL14388767 0.86 THRB (0.44) THRBENPP2PHLPP2CD40CD40LG
SCHEMBL13366843 0.85 ENPP2 (0.43) THRBENPP2PHLPP2FUT8CD40
SCHEMBL13880598 0.85 THRB (0.60) THRBENPP2PHLPP2FUT8CD40
SCHEMBL14388939 0.85 THRB (0.55) THRBENPP2PHLPP2FUT8CD40
SCHEMBL14346821 0.85 THRB (0.50) THRBENPP2PHLPP2FUT8CD40
SCHEMBL14388919 0.85 ENPP2 (0.47) THRBENPP2PHLPP2CD40CD40LG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3039083-B1 DYE MIXTURES OF METAL-FREE REACTIVE DYES, PRODUCTION AND USE DYSTAR COLOURS DISTRIB GMBH (DE) 2017-06-07 — — EP disclosed
EP-2862902-A1 Dye mixtures of metal free reactive dyes, production and use DyStar Colours Distribution GmbH (DE) 2015-04-22 — — EP disclosed
WO-2015028499-A1 DYE MIXTURES OF REACTIVE DYES, PRODUCTION AND USE DYSTAR COLOURS DISTRIBUTION GMBH (DE) 2015-03-05 — — WO disclosed
US-20070271711-A1 Dye Mixtures of Fibre-Reactive Azo Dyes Production and Use Thereof DYSTAR TEXTILFARBEN GMBH & CO., DEUTSCHLAND KG (DE) 2007-11-29 — — US disclosed
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