SCHEMBL17384336

SCHEMBL17384336

C=CS(=O)(=O)CCCC(=O)Nc1cc(/N=N/c2c(N)ccc3cc(S(=O)(=O)O)cc(O)c23)c(S(=O)(=O)O)cc1/N=N/c1ccc(S(=O)(=O)C=C)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 8/20 0.49
▸ SUMO2 P61956 1/20 0.48
▸ SUMO1 P63165 1/20 0.48
▸ SENP7 Q9BQF6 1/20 0.48
▸ SENP2 Q9HC62 1/20 0.48
▸ PRMT1 Q99873 2/20 0.41
▸ APEX1 P27695 2/20 0.39
▸ CYP1A2 P05177 2/20 0.38
▸ PHLPP2 Q6ZVD8 1/20 0.36
▸ CD40 P25942 1/20 0.35
▸ CD40LG P29965 1/20 0.35
▸ CYP2C9 P11712 1/20 0.34
▸ CA2 P00918 1/20 0.33
▸ CA3 P07451 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPK1 P28482 1/20 0.33

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
SCHEMBL17384335 0.92 ENPP2 (0.42) ENPP2SUMO2SUMO1SENP7SENP2
SCHEMBL17384207 0.90 PRMT1 (0.42) ENPP2SUMO2SUMO1SENP7SENP2
SCHEMBL17384020 0.89 MEN1 (0.41) ENPP2SUMO2SUMO1SENP7SENP2
SCHEMBL17384217 0.87 ENPP2 (0.46) ENPP2SUMO2SUMO1SENP7SENP2
SCHEMBL17384271 0.81 ENPP2 (0.46) ENPP2SUMO2SUMO1SENP7SENP2
SCHEMBL17384218 0.79 PRMT1 (0.47) ENPP2PRMT1CYP1A2ALDH1A1MAPK1
SCHEMBL14441147 0.79 SUMO2 (0.68) ENPP2SUMO2SUMO1SENP7SENP2
SCHEMBL17384025 0.79 SUMO2 (0.49) ENPP2SUMO2SUMO1SENP7SENP2
SCHEMBL17384264 0.78 FUT8 (0.51) ENPP2SUMO2SUMO1SENP7SENP2
SCHEMBL17384219 0.77 ENPP2 (0.52) ENPP2SUMO2SUMO1SENP7SENP2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015193104-A1 MIXTURES OF REACTIVE DYES HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2015-12-23 — — WO disclosed
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