SCHEMBL12053453

SCHEMBL12053453

Nc1c(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2)c(S(=O)(=O)O)cc2cc(SOOO)c(/N=N/c3cc(Nc4cc(F)nc(F)n4)ccc3S(=O)(=O)O)c(O)c12

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.46
▸ ENPP2 Q13822 5/20 0.34
▸ FUT8 Q9BYC5 1/20 0.31
▸ PHLPP2 Q6ZVD8 1/20 0.31
▸ CD40 P25942 1/20 0.30
▸ CD40LG P29965 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
SCHEMBL14388755 0.92 THRB (0.54) THRBENPP2FUT8PHLPP2CD40
SCHEMBL13340552 0.92 THRB (0.47) THRBENPP2FUT8PHLPP2CD40
SCHEMBL12053477 0.90 THRB (0.46) THRBENPP2FUT8
SCHEMBL12053476 0.87 THRB (0.46) THRBENPP2FUT8PHLPP2CD40
SCHEMBL12053489 0.87 THRB (0.46) THRBENPP2FUT8PHLPP2CD40
SCHEMBL13340562 0.84 THRB (0.43) THRBENPP2FUT8PHLPP2
SCHEMBL14388839 0.83 THRB (0.56) THRBENPP2FUT8PHLPP2CD40
SCHEMBL13340927 0.82 ENPP2 (0.33) THRBENPP2CD40CD40LG
SCHEMBL13340645 0.82 ENPP2 (0.33) THRBENPP2CD40CD40LG
SCHEMBL12053499 0.82 FUT8 (0.44) THRBENPP2FUT8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8080101-B2 Azo reactive dyes and mixtures of fiber-reactive azo dyes, their preparation and their use DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2011-12-20 — — US disclosed
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-20080295732-A1 Azo Reactive Dyes And Mixtures Of Fiber-Reactive Azo Dyes, Their Preparation And Their Use DYSTAR TEXTILFARBEN GMBH &CO. DEUTSCHLAND KG (DE) 2008-12-04 — — 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
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
Send feedback