SCHEMBL17384272

SCHEMBL17384272

C=Nc1ccc2cc(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)cc2S(=O)(=O)O)cc1S(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 3/20 0.41
▸ PRMT1 Q99873 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ APEX1 P27695 1/20 0.30
▸ CD40 P25942 1/20 0.30
▸ CD40LG P29965 1/20 0.30
▸ SUMO2 P61956 1/20 0.30
▸ SUMO1 P63165 1/20 0.30
▸ SENP7 Q9BQF6 1/20 0.30
▸ SENP2 Q9HC62 1/20 0.30

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
SCHEMBL17384274 0.95 ENPP2 (0.39) ENPP2PRMT1ALDH1A1MAPK1MEN1
SCHEMBL17384271 0.87 ENPP2 (0.46) ENPP2PRMT1THRBAPEX1CD40
SCHEMBL17384045 0.87 ENPP2 (0.36) ENPP2PRMT1ALDH1A1MAPK1MEN1
SCHEMBL17384208 0.86 ENPP2 (0.39) ENPP2PRMT1ALDH1A1MAPK1MEN1
SCHEMBL17384296 0.84 THRB (0.41) ENPP2ALDH1A1MAPK1MEN1THRB
SCHEMBL17384206 0.82 PRMT1 (0.36) ENPP2PRMT1MEN1THRBKMT2A
SCHEMBL17384205 0.81 ENPP2 (0.43) ENPP2PRMT1APEX1SUMO2SUMO1
SCHEMBL17384295 0.79 ENPP2 (0.41) ENPP2PRMT1ALDH1A1MAPK1MEN1
SCHEMBL17384335 0.77 ENPP2 (0.42) ENPP2PRMT1ALDH1A1MAPK1CD40
SCHEMBL17384220 0.74 CA2 (0.38) ENPP2PRMT1THRBCD40CD40LG

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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