SCHEMBL17327060

SCHEMBL17327060

C=CS(=O)(=O)c1cccc(Nc2nc(Cl)nc(Nc3ccc(N=Nc4ccc5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c5c4)c(C)c3)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 7/20 0.49
▸ FUT8 Q9BYC5 1/20 0.44
▸ CHAT P28329 3/20 0.40
▸ ENPP3 O14638 1/20 0.40
▸ ENPP1 P22413 1/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ PRMT1 Q99873 2/20 0.38
▸ ATIC P31939 1/20 0.38
▸ SUMO2 P61956 1/20 0.38
▸ SUMO1 P63165 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP2 Q9HC62 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CARM1 Q86X55 1/20 0.36
▸ PTPRC P08575 1/20 0.36

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
SCHEMBL17327065 0.93 ENPP2 (0.49) ENPP2FUT8CHATCA12CA1
SCHEMBL13152017 0.89 ENPP2 (0.53) ENPP2FUT8CHATCA12CA1
SCHEMBL17327064 0.88 SENP2 (0.52) ENPP2FUT8CHATENPP3ENPP1
SCHEMBL17323128 0.87 FUT8 (0.43) ENPP2FUT8CHATENPP3ENPP1
SCHEMBL15985961 0.87 ENPP2 (0.48) ENPP2FUT8CHATENPP3ENPP1
SCHEMBL15985985 0.86 ENPP2 (0.42) ENPP2FUT8CHATCA12CA1
SCHEMBL15985983 0.86 ENPP2 (0.52) ENPP2FUT8CHATENPP3ENPP1
SCHEMBL13152010 0.84 ENPP2 (0.56) ENPP2FUT8CHATENPP3ENPP1
SCHEMBL13388972 0.83 ENPP2 (0.55) ENPP2FUT8ATICSUMO2SUMO1
SCHEMBL15985950 0.83 ENPP2 (0.52) ENPP2FUT8CA12CA1CA2

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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