SCHEMBL13069419

SCHEMBL13069419

Nc1c(/N=N/c2cc(Nc3nc(Cl)nc(Nc4ccc(S(=O)(=O)CCOS(=O)(=O)O)cc4)n3)ccc2S(=O)(=O)O)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.53
▸ THRB P10828 2/20 0.41
▸ PRMT1 Q99873 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ ENPP2 Q13822 4/20 0.40
▸ CHAT P28329 3/20 0.38
▸ USP2 O75604 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CYP2C9 P11712 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ DNASE1L3 Q13609 1/20 0.37
▸ ENPP3 O14638 1/20 0.36
▸ ENPP1 P22413 1/20 0.36
▸ CARM1 Q86X55 1/20 0.35
▸ CA9 Q16790 5/20 0.35
▸ CA12 O43570 4/20 0.35
▸ CA1 P00915 4/20 0.35
▸ CA2 P00918 4/20 0.35

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
SCHEMBL16560640 0.94 FUT8 (0.53) FUT8THRBPRMT1CYP1A2ENPP2
SCHEMBL14441347 0.90 ENPP2 (0.49) FUT8THRBPRMT1CYP1A2ENPP2
SCHEMBL14514299 0.89 FUT8 (0.54) FUT8THRBPRMT1CYP1A2ENPP2
SCHEMBL16560632 0.88 FUT8 (0.51) FUT8THRBPRMT1CYP1A2ENPP2
SCHEMBL9116929 0.88 FUT8 (0.59) FUT8THRBPRMT1CYP1A2ENPP2
SCHEMBL14388939 0.88 THRB (0.55) FUT8THRBPRMT1CYP1A2ENPP2
SCHEMBL16560657 0.87 FUT8 (0.44) FUT8THRBPRMT1CYP1A2ENPP2
SCHEMBL16626832 0.87 FUT8 (0.55) FUT8THRBPRMT1CYP1A2ENPP2
SCHEMBL14388920 0.86 FUT8 (0.54) FUT8THRBPRMT1CYP1A2ENPP2
SCHEMBL16664577 0.85 FUT8 (0.51) FUT8THRBPRMT1CYP1A2ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035507-B1 DYE MIXTURES OF FIBRE-REACTIVE AZO DYES, PRODUCTION AND USE THEREOF DYSTAR COLOURS DEUTSCHLAND GMB (DE) 2010-11-17 — — EP disclosed
WO-2007147774-A2 DYE MIXTURES OF FIBRE-REACTIVE AZO DYES, PRODUCTION AND USE THEREOF DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2007-12-27 — — WO disclosed
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