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SCHEMBL14075516

SCHEMBL14075516

O=S(=O)(O)OCCS(=O)(=O)c1ccc(/N=N/c2c(S(=O)(=O)O)cc3c(S(=O)(=O)O)c(Nc4nc(Cl)nc(Nc5cc(S(=O)(=O)O)cc6cc(SOOO)c(/N=N/c7ccc(S(=O)(=O)CCOSOOO)cc7)c(O)c56)n4)ccc3c2O)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.43
▸ ENPP2 Q13822 3/20 0.34
▸ THRB P10828 1/20 0.34
▸ CARM1 Q86X55 1/20 0.33
▸ PRMT1 Q99873 1/20 0.33
▸ CA2 P00918 1/20 0.30
▸ CA3 P07451 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
SCHEMBL13599524 0.92 FUT8 (0.41) FUT8ENPP2THRBCARM1PRMT1
SCHEMBL13599484 0.91 FUT8 (0.52) FUT8ENPP2THRBCARM1PRMT1
SCHEMBL13599496 0.89 FUT8 (0.48) FUT8ENPP2THRBCARM1PRMT1
SCHEMBL14012420 0.85 FUT8 (0.43) FUT8ENPP2THRBCARM1PRMT1
SCHEMBL13599537 0.85 FUT8 (0.49) FUT8ENPP2THRBCARM1PRMT1
SCHEMBL13599510 0.84 CARM1 (0.33) CARM1PRMT1
SCHEMBL13599491 0.83 FUT8 (0.46) FUT8ENPP2THRBCARM1PRMT1
SCHEMBL14379262 0.82 FUT8 (0.40) FUT8ENPP2
SCHEMBL13538879 0.81 FUT8 (0.53) FUT8ENPP2THRBCARM1PRMT1
SCHEMBL13599478 0.79 FUT8 (0.49) FUT8ENPP2THRBCARM1PRMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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