SCHEMBL11656372

SCHEMBL11656372

COc1cc(/N=N/c2cc(S(=O)(=O)O)cc3ccc(S(=O)(=O)O)cc23)c(C)cc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 7/20 0.56
ALDH1A1 P00352 2/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CASP6 P55212 1/20 0.50
HSD17B10 Q99714 1/20 0.50
SUMO2 P61956 1/20 0.46
SUMO1 P63165 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP3 Q9H4L4 1/20 0.46
SENP2 Q9HC62 1/20 0.46
SENP1 Q9P0U3 1/20 0.46
PRMT1 Q99873 1/20 0.43
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.41
PTPN1 P18031 2/20 0.41
NT5E P21589 1/20 0.40
CYP1A2 P05177 1/20 0.38

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
SCHEMBL11656374 1.00 ENPP2 (0.56) ENPP2ALDH1A1CYP2C9CYP2C19CASP6
SCHEMBL14469722 0.90 ENPP2 (0.46) ENPP2ALDH1A1CYP2C9CYP2C19CASP6
SCHEMBL8021380 0.86 ENPP2 (0.53) ENPP2ALDH1A1HSD17B10SUMO2SUMO1
SCHEMBL8021383 0.86 ENPP2 (0.53) ENPP2ALDH1A1HSD17B10SUMO2SUMO1
SCHEMBL14026027 0.85 ENPP2 (0.49) ENPP2ALDH1A1SUMO2SUMO1SENP7
SCHEMBL11425030 0.84 ENPP2 (0.52) ENPP2ALDH1A1CYP2C9CYP2C19HSD17B10
SCHEMBL8022246 0.84 ENPP2 (0.53) ENPP2ALDH1A1CYP2C19HSD17B10SUMO2
SCHEMBL8022243 0.84 ENPP2 (0.53) ENPP2ALDH1A1CYP2C19HSD17B10SUMO2
SCHEMBL4084052 0.83 ENPP2 (0.53) ENPP2ALDH1A1CYP2C9CYP2C19HSD17B10
SCHEMBL4084057 0.83 ENPP2 (0.53) ENPP2ALDH1A1CYP2C9CYP2C19HSD17B10

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
US-4077767-A Process for the preparation of concentrated solutions of urea compounds BAYER AKTIENGESELLSCHAFT (DT) 1978-03-07 US disclosed