SCHEMBL13340562

SCHEMBL13340562

Nc1c(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2)c(S(=O)(=O)O)cc2cc(SOOO)c(/N=N/c3cc(Nc4nc(Cl)nc(Nc5cccc(S(=O)(=O)CCOS(=O)(=O)O)c5)n4)ccc3S(=O)(=O)O)c(O)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.43
▸ FUT8 Q9BYC5 1/20 0.43
▸ ENPP2 Q13822 5/20 0.36
▸ CHAT P28329 3/20 0.34
▸ ENPP3 O14638 1/20 0.34
▸ ENPP1 P22413 1/20 0.34
▸ CARM1 Q86X55 1/20 0.34
▸ PRMT1 Q99873 1/20 0.34
▸ USP2 O75604 1/20 0.31
▸ APEX1 P27695 1/20 0.31
▸ PHLPP2 Q6ZVD8 1/20 0.31
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA9 Q16790 1/20 0.30
▸ P2RY2 P41231 1/20 0.30
▸ P2RY4 P51582 1/20 0.30
▸ P2RY6 Q15077 1/20 0.30
▸ P2RY13 Q9BPV8 1/20 0.30
▸ P2RY12 Q9H244 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 0.96 THRB (0.46) THRBFUT8ENPP2CHATCARM1
SCHEMBL12053476 0.95 THRB (0.46) THRBFUT8ENPP2CHATCARM1
SCHEMBL12053499 0.92 FUT8 (0.44) THRBFUT8ENPP2CHATCARM1
SCHEMBL16664577 0.90 FUT8 (0.51) THRBFUT8ENPP2CHATENPP3
SCHEMBL13340552 0.90 THRB (0.47) THRBFUT8ENPP2PHLPP2CYP1A2
SCHEMBL12053492 0.89 FUT8 (0.44) THRBFUT8ENPP2CHATCARM1
SCHEMBL12377648 0.87 FUT8 (0.40) THRBFUT8ENPP2CHATENPP3
SCHEMBL14388939 0.87 THRB (0.55) THRBFUT8ENPP2CHATCARM1
SCHEMBL13538878 0.86 FUT8 (0.44) THRBFUT8ENPP2CHATCARM1
SCHEMBL12053477 0.86 THRB (0.46) THRBFUT8ENPP2

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-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
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