SCHEMBL13599496

SCHEMBL13599496

O=S(=O)(O)OCCS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Nc3cc(S(=O)(=O)O)cc4cc(SOOO)c(/N=N/c5ccc(S(=O)(=O)CCOSOOO)cc5)c(O)c34)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.48
▸ THRB P10828 1/20 0.35
▸ ENPP2 Q13822 1/20 0.34
▸ CARM1 Q86X55 1/20 0.34
▸ PRMT1 Q99873 1/20 0.34
▸ CA9 Q16790 4/20 0.30
▸ CA12 O43570 3/20 0.30
▸ CA1 P00915 3/20 0.30
▸ CA2 P00918 3/20 0.30
▸ CA14 Q9ULX7 3/20 0.30
▸ CA5A P35218 1/20 0.30
▸ CA5B Q9Y2D0 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
SCHEMBL13599491 0.92 FUT8 (0.46) FUT8THRBENPP2CARM1PRMT1
SCHEMBL13599484 0.92 FUT8 (0.52) FUT8THRBENPP2CARM1PRMT1
SCHEMBL14012420 0.91 FUT8 (0.43) FUT8THRBENPP2CARM1PRMT1
SCHEMBL14075516 0.89 FUT8 (0.43) FUT8THRBENPP2CARM1PRMT1
SCHEMBL13420845 0.86 FUT8 (0.50) FUT8THRBENPP2CARM1PRMT1
SCHEMBL13420617 0.86 FUT8 (0.49) FUT8THRBENPP2CARM1PRMT1
SCHEMBL13599537 0.85 FUT8 (0.49) FUT8THRBENPP2CARM1PRMT1
SCHEMBL14585721 0.85 FUT8 (0.49) FUT8THRBENPP2CARM1PRMT1
SCHEMBL13599478 0.85 FUT8 (0.49) FUT8THRBENPP2CARM1PRMT1
SCHEMBL13998607 0.84 FUT8 (0.54) FUT8THRBENPP2CARM1PRMT1

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-7637964-B2 Dye mixtures of fiber-reactive azo dyes, their preparation and their use DYSTAR TEXTILFARBEN GMBH & CO. (DE) 2009-12-29 — — US disclosed
US-20080274287-A1 Dye Mixtures Of Fiber-Reactive Azo Dyes, Their Preparation And Their Use DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2008-11-06 — — US disclosed
US-7429279-B2 Dye mixtures of fiber-reactive AZO dyes, their preparation and their use DYSTAR TEXTILFARBEN GMBH + CO. DEUTSCHLAND KG (DE) 2008-09-30 — — US disclosed
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