SCHEMBL9021744

SCHEMBL9021744

COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ccn(C)c2S(=O)(=O)N(C)C)n1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
CDK1 P06493 1/20 0.52
CYP1A2 P05177 1/20 0.40
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
KMT2A Q03164 1/20 0.35
KCNJ6 P48051 1/20 0.34
KCNJ5 P48544 1/20 0.34
KCNJ3 P48549 1/20 0.34

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
SCHEMBL9021880 0.82 ALDH1A1 (0.50) GAACDK1MAPTTP53
SCHEMBL9022246 0.82 GAA (0.56) GAACDK1CYP1A2MAPTTP53
SCHEMBL10508252 0.81 GAA (0.58) GAACDK1CYP1A2MAPTTP53
SCHEMBL9021858 0.81 CDK1 (0.59) GAACDK1CYP1A2MAPTTP53
SCHEMBL9077435 0.80 GAA (0.56) GAACDK1CYP1A2MAPTTP53
SCHEMBL10616134 0.77 GAA (0.67) GAACDK1CYP1A2MAPTTP53
SCHEMBL11095498 0.76 GAA (0.54) GAACDK1CYP1A2MAPTTP53
SCHEMBL11086619 0.76 GAA (0.51) GAACDK1MAPTTP53GLA
SCHEMBL9826164 0.76 GAA (0.59) GAACDK1CYP1A2MAPTTP53
SCHEMBL9040065 0.75 GAA (0.56) GAACDK1CYP1A2MAPTTP53

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-0546082-B1 HERBICIDAL PYRROLESULFONYLUREAS DU PONT (US) 1996-12-18 EP disclosed