SCHEMBL17323129

SCHEMBL17323129

C=CCc1cccc(Nc2nc(Cl)nc(Nc3ccc(N=Nc4ccc5cccc(S(=O)(=O)O)c5c4)c(C)c3)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 3/20 0.39
▸ ATIC P31939 2/20 0.39
▸ SENP2 Q9HC62 2/20 0.39
▸ SUMO2 P61956 1/20 0.39
▸ SUMO1 P63165 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ FUT8 Q9BYC5 1/20 0.38
▸ CA12 O43570 3/20 0.36
▸ CA1 P00915 3/20 0.36
▸ CA2 P00918 3/20 0.36
▸ CA9 Q16790 3/20 0.36
▸ CARM1 Q86X55 1/20 0.34
▸ PRMT1 Q99873 1/20 0.34
▸ CHAT P28329 2/20 0.33
▸ ENPP3 O14638 1/20 0.33
▸ ENPP1 P22413 1/20 0.33
▸ NFKB1 P19838 1/20 0.32
▸ SENP1 Q9P0U3 1/20 0.32
▸ GLO1 Q04760 1/20 0.32
▸ HPGDS O60760 1/20 0.32

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
SCHEMBL17323127 0.91 SENP2 (0.50) ENPP2ATICSENP2SUMO2SUMO1
SCHEMBL17323128 0.88 FUT8 (0.43) ENPP2ATICSENP2SUMO2SUMO1
SCHEMBL17323126 0.82 ENPP2 (0.42) ENPP2ATICSENP2SUMO2SUMO1
SCHEMBL17323132 0.82 NFKB1 (0.39) CA12CA1CA2CA9NFKB1
SCHEMBL17327060 0.81 ENPP2 (0.49) ENPP2ATICSENP2SUMO2SUMO1
SCHEMBL17323133 0.80 ATIC (0.40) ENPP2ATICSENP2SUMO2SUMO1
SCHEMBL13388803 0.80 SENP2 (0.61) ENPP2ATICSENP2SUMO2SUMO1
SCHEMBL17327064 0.79 SENP2 (0.52) ENPP2ATICSENP2SUMO2SUMO1
SCHEMBL17327065 0.79 ENPP2 (0.49) ENPP2ATICSENP2SUMO2SUMO1
SCHEMBL15985985 0.79 ENPP2 (0.42) ENPP2ATICSENP2SUMO2SUMO1

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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