SCHEMBL11276167

SCHEMBL11276167

O=COc1cc(OC=O)nc(NC(=O)NS(=O)(=O)c2c(Cl)ccc3ccccc23)n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
CDK1 P06493 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
NLRP3 Q96P20 1/20 0.33
TP53 P04637 1/20 0.32
GLA P06280 1/20 0.32
MAPT P10636 1/20 0.32
KCNJ11 Q14654 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
NPY5R Q15761 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL11041517 0.87 GAA (0.55) GAAALDH1A1KDM4ENPC1CDK1
SCHEMBL11042138 0.82 GAA (0.48) GAAALDH1A1KDM4ENPC1CDK1
SCHEMBL11045687 0.81 GAA (0.44) GAAALDH1A1KDM4ENPC1SMN1; SMN2
SCHEMBL11042105 0.80 ALDH1A1 (0.41) GAAALDH1A1KDM4ENPC1SMN1; SMN2
SCHEMBL11045417 0.80 ALDH1A1 (0.45) GAAALDH1A1KDM4ENPC1SMN1; SMN2
SCHEMBL11043115 0.76 ALDH1A1 (0.43) GAAALDH1A1KDM4ENPC1SMN1; SMN2
SCHEMBL11045452 0.74 MAPT (0.40) GAAALDH1A1KDM4ENPC1SMN1; SMN2
SCHEMBL11255297 0.74 CDK1 (0.46) GAAALDH1A1KDM4ENPC1CDK1
SCHEMBL11045546 0.74 GAA (0.54) GAAALDH1A1KDM4ECDK1SMN1; SMN2
SCHEMBL10937189 0.72 GAA (0.52) GAACDK1TP53GLAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0057546-A2 Sulfonylurea N-oxides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-08-11 EP claimed
EP-0057546-A2 Sulfonylurea N-oxides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-08-11 EP disclosed