SCHEMBL17384126

SCHEMBL17384126

COc1cc(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2)c(NC(C)=O)cc1/N=N/c1c(S(=O)(=O)O)cc2c(/N=N/c3ccc(/N=N/c4ccc(S(=O)(=O)CCOS(=O)(=O)O)cc4)cc3S(=O)(=O)O)c(N)ccc2c1O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 11/20 0.44
▸ CD40 P25942 1/20 0.44
▸ CD40LG P29965 1/20 0.44
▸ CA2 P00918 1/20 0.43
▸ CA3 P07451 1/20 0.43
▸ PHLPP2 Q6ZVD8 2/20 0.38
▸ THRB P10828 1/20 0.38
▸ PRMT3 O60678 1/20 0.36
▸ EP300 Q09472 1/20 0.36
▸ PRMT6 Q96LA8 1/20 0.36
▸ PRMT1 Q99873 1/20 0.36
▸ SENP3 Q9H4L4 2/20 0.34
▸ SENP2 Q9HC62 2/20 0.34
▸ SENP1 Q9P0U3 2/20 0.34
▸ SUMO2 P61956 1/20 0.34
▸ SUMO1 P63165 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34

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
SCHEMBL17384130 0.88 ENPP2 (0.39) ENPP2CD40CD40LGCA2CA3
SCHEMBL17384282 0.87 ENPP2 (0.46) ENPP2CD40CD40LGPHLPP2THRB
SCHEMBL14388751 0.86 ENPP2 (0.45) ENPP2CD40CD40LGCA2CA3
SCHEMBL15985946 0.84 ENPP2 (0.44) ENPP2CD40CD40LGPHLPP2THRB
SCHEMBL14388815 0.84 ENPP2 (0.44) ENPP2CD40CD40LGPHLPP2THRB
SCHEMBL14388757 0.84 THRB (0.45) ENPP2CD40CD40LGCA2CA3
SCHEMBL14546996 0.84 THRB (0.45) ENPP2CD40CD40LGCA2CA3
SCHEMBL14388847 0.84 THRB (0.45) ENPP2CD40CD40LGCA2CA3
SCHEMBL14388944 0.83 ENPP2 (0.48) ENPP2CD40CD40LGPHLPP2THRB
SCHEMBL16309282 0.82 ENPP2 (0.43) ENPP2CD40CD40LGCA2CA3

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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