SCHEMBL17384045

SCHEMBL17384045

CNc1ccc2cc(S(=O)(=O)O)cc(O)c2c1/N=N/c1cc(NC(=O)CCCS(=O)(=O)CCCl)c(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2)cc1S(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 8/20 0.36
▸ SUMO2 P61956 1/20 0.34
▸ SUMO1 P63165 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ SENP2 Q9HC62 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA3 P07451 1/20 0.34
▸ THRB P10828 2/20 0.33
▸ CD40 P25942 1/20 0.33
▸ CD40LG P29965 1/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ PRMT1 Q99873 2/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ PHLPP2 Q6ZVD8 1/20 0.31

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
SCHEMBL17384208 0.96 ENPP2 (0.39) ENPP2SUMO2SUMO1SENP7SENP2
SCHEMBL17384271 0.92 ENPP2 (0.46) ENPP2SUMO2SUMO1SENP7SENP2
SCHEMBL17384296 0.92 THRB (0.41) ENPP2SUMO2SUMO1SENP7SENP2
SCHEMBL17384274 0.92 ENPP2 (0.39) ENPP2SUMO2SUMO1SENP7SENP2
SCHEMBL17384206 0.89 PRMT1 (0.36) ENPP2THRBPRMT1MEN1KMT2A
SCHEMBL17384272 0.87 ENPP2 (0.41) ENPP2SUMO2SUMO1SENP7SENP2
SCHEMBL17384295 0.82 ENPP2 (0.41) ENPP2THRBPRMT1MEN1KMT2A
SCHEMBL17384205 0.82 ENPP2 (0.43) ENPP2SUMO2SUMO1SENP7SENP2
SCHEMBL17384219 0.81 ENPP2 (0.52) ENPP2SUMO2SUMO1SENP7SENP2
SCHEMBL17384220 0.80 CA2 (0.38) 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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