SCHEMBL13823301

SCHEMBL13823301

C=CS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Nc3ccc(N=Nc4c(N)c(S(=O)(=O)O)cc5cc(S(=O)(=O)O)cc(O)c45)cc3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.53
▸ ENPP2 Q13822 6/20 0.45
▸ SUMO2 P61956 1/20 0.43
▸ SUMO1 P63165 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ SENP2 Q9HC62 1/20 0.43
▸ PRMT1 Q99873 3/20 0.43
▸ CARM1 Q86X55 1/20 0.43
▸ CHAT P28329 3/20 0.42
▸ USP2 O75604 1/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ PHLPP2 Q6ZVD8 1/20 0.41
▸ ENPP3 O14638 1/20 0.40
▸ ENPP1 P22413 1/20 0.40
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ CA14 Q9ULX7 1/20 0.39

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
SCHEMBL14314573 0.90 FUT8 (0.54) FUT8ENPP2SUMO2SUMO1SENP7
SCHEMBL14136090 0.88 FUT8 (0.44) FUT8ENPP2SUMO2SUMO1SENP7
SCHEMBL14314578 0.87 FUT8 (0.52) FUT8ENPP2SUMO2SUMO1SENP7
SCHEMBL17384264 0.84 FUT8 (0.51) FUT8ENPP2SUMO2SUMO1SENP7
SCHEMBL14038348 0.82 FUT8 (0.57) FUT8ENPP2SUMO2SUMO1SENP7
SCHEMBL4665298 0.82 ENPP2 (0.47) FUT8ENPP2SUMO2SUMO1SENP7
SCHEMBL13823298 0.82 ENPP2 (0.61) FUT8ENPP2SUMO2SUMO1SENP7
SCHEMBL14440892 0.82 ENPP2 (0.61) FUT8ENPP2SUMO2SUMO1SENP7
SCHEMBL12189775 0.81 FUT8 (0.60) FUT8ENPP2SUMO2SUMO1SENP7
SCHEMBL14314337 0.80 FUT8 (0.47) FUT8ENPP2PRMT1CARM1CHAT

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-7553339-B2 Bringing fiber material into contact with at least one reactive dye containing at least one anionic group, at least one compound which reduces the ionic character of the anionic group, and at least one nucleophilic compound; yields dyeings or prints having deep hues and very good fastness HUNTSMAN INTERNATIONAL LLC (US) 2009-06-30 — — US disclosed
EP-1511895-B1 METHOD OF DYEING OR PRINTING SYNTHETIC POLYAMIDE FIBRE MATERIALS USING REACTIVE DYES HUNTSMAN ADV MAT SWITZERLAND (CH) 2008-10-15 — — EP disclosed
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