SCHEMBL13599534

SCHEMBL13599534

O=S(=O)(O)OCCS(=O)(=O)c1cccc(Nc2nc(Cl)nc(Nc3cc(S(=O)(=O)O)cc4cc(SOOO)c(/N=N/c5ccccc5S(=O)(=O)O)c(O)c34)n2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.60
▸ MEN1 O00255 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CHAT P28329 3/20 0.36
▸ ENPP3 O14638 1/20 0.36
▸ ENPP1 P22413 1/20 0.36
▸ CYP1A2 P05177 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ DNASE1L3 Q13609 1/20 0.34
▸ CA12 O43570 4/20 0.33
▸ CA1 P00915 4/20 0.33
▸ CA2 P00918 4/20 0.33
▸ CA9 Q16790 4/20 0.33
▸ ENPP2 Q13822 2/20 0.32
▸ USP2 O75604 1/20 0.31
▸ APEX1 P27695 1/20 0.31
▸ PRMT1 Q99873 1/20 0.31
▸ ALDH1A1 P00352 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
SCHEMBL14372027 0.91 FUT8 (0.49) FUT8MEN1THRBKMT2ACHAT
SCHEMBL12173026 0.90 FUT8 (0.74) FUT8MEN1THRBKMT2ACHAT
SCHEMBL12136688 0.90 FUT8 (0.50) FUT8MEN1THRBKMT2ACHAT
SCHEMBL14500860 0.89 FUT8 (0.74) FUT8MEN1THRBKMT2ACHAT
SCHEMBL14495373 0.87 FUT8 (0.69) FUT8MEN1THRBKMT2ACHAT
SCHEMBL12136693 0.87 FUT8 (0.63) FUT8MEN1THRBKMT2ACHAT
SCHEMBL13998607 0.86 FUT8 (0.54) FUT8MEN1THRBKMT2ACHAT
SCHEMBL13538879 0.86 FUT8 (0.53) FUT8MEN1THRBKMT2ACHAT
SCHEMBL13880674 0.85 FUT8 (0.65) FUT8MEN1THRBKMT2ACHAT
SCHEMBL13599566 0.84 FUT8 (0.51) FUT8MEN1THRBKMT2ACHAT

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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