SCHEMBL13340552

SCHEMBL13340552

Nc1c(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2)c(S(=O)(=O)O)cc2cc(SOOO)c(/N=N/c3cc(Nc4nc(F)nc(Nc5ccc(S(=O)(=O)CCOS(=O)(=O)O)cc5)n4)ccc3S(=O)(=O)O)c(O)c12

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.47
▸ FUT8 Q9BYC5 1/20 0.38
▸ ENPP2 Q13822 6/20 0.35
▸ CD40 P25942 1/20 0.31
▸ CD40LG P29965 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ PHLPP2 Q6ZVD8 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
SCHEMBL12053489 0.94 THRB (0.46) THRBFUT8ENPP2CD40CD40LG
SCHEMBL12053476 0.92 THRB (0.46) THRBFUT8ENPP2CD40CD40LG
SCHEMBL14388839 0.92 THRB (0.56) THRBFUT8ENPP2CD40CD40LG
SCHEMBL12053453 0.92 THRB (0.46) THRBFUT8ENPP2CD40CD40LG
SCHEMBL12053477 0.91 THRB (0.46) THRBFUT8ENPP2
SCHEMBL13340562 0.90 THRB (0.43) THRBFUT8ENPP2CYP1A2PHLPP2
SCHEMBL12053499 0.89 FUT8 (0.44) THRBFUT8ENPP2
SCHEMBL14346821 0.86 THRB (0.50) THRBFUT8ENPP2CD40CD40LG
SCHEMBL12053492 0.85 FUT8 (0.44) THRBFUT8ENPP2
SCHEMBL13340681 0.84 CARM1 (0.41) FUT8ENPP2CD40CD40LG

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
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
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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