SCHEMBL8587808

SCHEMBL8587808

CCC1(S(=O)(=O)NC(=O)Nc2nc(Cl)cc(OC)n2)C=CC=CC1C(=O)O.COc1cc(Cl)nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)O)n1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
CDK1 P06493 1/20 0.36
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
GLA P06280 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 1/20 0.32
CA12 O43570 3/20 0.32
CA9 Q16790 3/20 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
SCHEMBL6642783 0.89 GAA (0.39) GAAALDH1A1CDK1MAPTTP53
SCHEMBL9065322 0.87 ALDH1A1 (0.36) GAAALDH1A1KDM4ENPC1CDK1
SCHEMBL29371340 0.82 GAA (0.52) GAAALDH1A1KDM4ENPC1CDK1
SCHEMBL119097 0.82 GAA (0.52) GAAALDH1A1KDM4ENPC1CDK1
SCHEMBL2138262 0.80 GAA (0.37) GAAALDH1A1KDM4ECDK1MAPT
Chlorimuron Ethyl SCHEMBL9422513 0.79 ALDH1A1 (0.45) GAAALDH1A1KDM4ENPC1CDK1
SCHEMBL9369039 0.77 ADORA3 (0.31) GAA
SCHEMBL10469643 0.77 GAA (0.59) GAACDK1MAPTTP53GLA
SCHEMBL8936702 0.76 GAA (0.42) GAAALDH1A1KDM4ENPC1CDK1
SCHEMBL9534581 0.75 ALDH1A1 (0.42) GAAALDH1A1KDM4ENPC1CDK1

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-0574418-B1 ARYL SULPHONYL UREA COMPOUNDS, A METHOD OF PREPARING THEM, AND THEIR USE AS HERBICIDES AND GROWTH REGULATORS HOECHST SCHERING AGREVO GMBH (DE) 1998-11-11 EP disclosed