SCHEMBL11111292

SCHEMBL11111292

COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ccccc2OC(F)F)n1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.60
CDK1 P06493 1/20 0.48
MAPT P10636 3/20 0.45
TP53 P04637 1/20 0.45
GLA P06280 1/20 0.45
CYP1A2 P05177 1/20 0.42
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL10914851 0.94 GAA (0.53) GAACDK1MAPTTP53GLA
SCHEMBL10455714 0.94 GAA (0.53) GAACDK1MAPTTP53GLA
SCHEMBL10460094 0.92 GAA (0.52) GAACDK1MAPTTP53GLA
SCHEMBL10458327 0.91 GAA (0.51) GAACDK1MAPTTP53GLA
SCHEMBL10455589 0.89 GAA (0.53) GAACDK1MAPTTP53GLA
SCHEMBL11175919 0.88 MAPT (0.46) GAACDK1MAPTKMT2AKDM4E
SCHEMBL10743535 0.87 GAA (0.45) GAAMAPTKMT2AKDM4ENPC1
SCHEMBL11000316 0.86 GAA (0.57) GAACDK1MAPTTP53GLA
SCHEMBL10616134 0.86 GAA (0.67) GAACDK1MAPTTP53GLA
SCHEMBL9467729 0.85 GAA (0.53) GAACDK1MAPTTP53GLA

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-0023422-B1 HERBICIDAL SULFONAMIDES, PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THEM E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-02-22 EP claimed