SCHEMBL10760165

SCHEMBL10760165

COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2C2=NN(C)CO2)n1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.38
GAA P10253 1/20 0.34
CDK1 P06493 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
FBP1 P09467 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 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
SCHEMBL10383476 0.81 MAPT (0.50) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL9823783 0.80 MAPT (0.40) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL10544802 0.80 MAPT (0.41) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL10763036 0.79 KDM4E (0.41) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL19034718 0.78 FBP1 (0.48) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL10762986 0.78 KDM4E (0.43) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL10819030 0.77 ALDH1A1 (0.47) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL2994281 0.77 KDM4E (0.47) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL10565947 0.77 ALDH1A1 (0.47) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL10759004 0.77 ALDH1A1 (0.40) ALDH1A1KDM4ENPC1MAPTGAA

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
EP-0083975-B1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-11-19 EP claimed