SCHEMBL13599478

SCHEMBL13599478

O=S(=O)(O)OCCS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Nc3cc(S(=O)(=O)O)cc4cc(SOOO)c(/N=N/c5ccc6c(SOOO)cccc6c5S(=O)(=O)O)c(O)c34)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.49
▸ MEN1 O00255 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CARM1 Q86X55 1/20 0.31
▸ PRMT1 Q99873 1/20 0.31
▸ ENPP2 Q13822 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ DNASE1L3 Q13609 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
SCHEMBL14585721 1.00 FUT8 (0.49) FUT8MEN1THRBKMT2ACARM1
SCHEMBL13538879 0.95 FUT8 (0.53) FUT8MEN1THRBKMT2ACARM1
SCHEMBL14372027 0.90 FUT8 (0.49) FUT8MEN1THRBKMT2AENPP2
SCHEMBL13998607 0.90 FUT8 (0.54) FUT8MEN1THRBKMT2ACARM1
SCHEMBL14071653 0.87 FUT8 (0.45) FUT8
SCHEMBL14071654 0.87 FUT8 (0.45) FUT8
SCHEMBL13949157 0.87 FUT8 (0.41) FUT8MEN1THRBKMT2ACARM1
SCHEMBL12136688 0.87 FUT8 (0.50) FUT8MEN1THRBKMT2AENPP2
SCHEMBL13138839 0.86 FUT8 (0.65) FUT8MEN1THRBKMT2ACARM1
SCHEMBL29886810 0.86 FUT8 (0.65) FUT8MEN1THRBKMT2ACARM1

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
Send feedback