SCHEMBL17327065

SCHEMBL17327065

C=CS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Nc3ccc(N=Nc4ccc5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c5c4)c(C)c3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 8/20 0.49
▸ FUT8 Q9BYC5 1/20 0.46
▸ PRMT1 Q99873 2/20 0.40
▸ CARM1 Q86X55 1/20 0.39
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ USP2 O75604 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ CHAT P28329 1/20 0.37
▸ PTPRC P08575 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ PTPN6 P29350 1/20 0.37
▸ PTPN7 P35236 1/20 0.37
▸ PTPN11 Q06124 1/20 0.37
▸ PTPRJ Q12913 1/20 0.37

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
SCHEMBL15985985 0.93 ENPP2 (0.42) ENPP2FUT8PRMT1CARM1CA12
SCHEMBL17327060 0.93 ENPP2 (0.49) ENPP2FUT8PRMT1CARM1CA12
SCHEMBL17323128 0.91 FUT8 (0.43) ENPP2FUT8PRMT1CARM1CA12
SCHEMBL13152017 0.91 ENPP2 (0.53) ENPP2FUT8PRMT1CARM1CA12
SCHEMBL15985950 0.87 ENPP2 (0.52) ENPP2FUT8PRMT1CARM1CA12
SCHEMBL15985944 0.86 SENP2 (0.53) ENPP2FUT8PRMT1CARM1CA12
SCHEMBL15985956 0.86 ENPP2 (0.48) ENPP2FUT8PRMT1CARM1CA12
SCHEMBL13388972 0.85 ENPP2 (0.55) ENPP2FUT8ALDH1A1HIF1APTPRC
SCHEMBL15986017 0.83 ENPP2 (0.50) ENPP2FUT8PRMT1CARM1CA12
SCHEMBL15985983 0.83 ENPP2 (0.52) ENPP2FUT8PRMT1CARM1CA12

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
US-9540765-B2 Mixtures of reactive dyes and their use in a method of di- or trichromatic dyeing or printing HUNTSMAN INTERNATIONAL LLC (US) 2017-01-10 — — US disclosed
US-20150354134-A1 Mixtures of Reactive Dyes and Their Use in a Method of Di- or Trichromatic Dyeing or Printing HUNTSMAN INTERNATIONAL LLC 2015-12-10 — — US disclosed
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