SCHEMBL17323141

SCHEMBL17323141

C=CS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Nc3ccc(/N=N/c4c(N)ccc5cccc(O)c45)c(S(=O)(=O)O)c3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.49
▸ FUT8 Q9BYC5 1/20 0.48
▸ CHAT P28329 3/20 0.41
▸ APEX1 P27695 3/20 0.41
▸ USP2 O75604 1/20 0.41
▸ CA9 Q16790 9/20 0.41
▸ CA12 O43570 8/20 0.41
▸ CA1 P00915 8/20 0.41
▸ CA2 P00918 8/20 0.41
▸ PRMT1 Q99873 1/20 0.40
▸ ENPP3 O14638 1/20 0.39
▸ ENPP1 P22413 1/20 0.39
▸ SUMO2 P61956 1/20 0.38
▸ SUMO1 P63165 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP2 Q9HC62 1/20 0.38
▸ CA14 Q9ULX7 3/20 0.37
▸ HPGDS O60760 1/20 0.36
▸ CA5A P35218 1/20 0.36
▸ CA5B Q9Y2D0 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
SCHEMBL13823298 0.91 ENPP2 (0.61) ENPP2FUT8CHATAPEX1USP2
SCHEMBL14440892 0.91 ENPP2 (0.61) ENPP2FUT8CHATAPEX1USP2
SCHEMBL12172990 0.85 ENPP2 (0.47) ENPP2FUT8CHATAPEX1USP2
SCHEMBL14048509 0.82 ENPP2 (0.62) ENPP2FUT8CHATAPEX1USP2
SCHEMBL14038374 0.82 ENPP2 (0.69) ENPP2FUT8CHATAPEX1USP2
SCHEMBL17384128 0.81 ENPP2 (0.51) ENPP2FUT8CHATAPEX1USP2
SCHEMBL12189797 0.81 ENPP2 (0.62) ENPP2FUT8CHATAPEX1USP2
SCHEMBL17384214 0.81 ENPP2 (0.52) ENPP2FUT8APEX1CA2PRMT1
SCHEMBL17384264 0.81 FUT8 (0.51) ENPP2FUT8CHATAPEX1USP2
SCHEMBL16560567 0.79 FUT8 (0.51) ENPP2FUT8CHATAPEX1USP2

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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