SCHEMBL9426154

SCHEMBL9426154

COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c3n(c4ccccc24)CCOC3=O)n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
CDK1 P06493 1/20 0.39
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
PIK3R1 P27986 2/20 0.36
PIK3CA P42336 2/20 0.36
MTOR P42345 2/20 0.36
CASR P41180 1/20 0.35
CYP1A2 P05177 1/20 0.35
KMT2A Q03164 1/20 0.35
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL9662216 0.95 GAA (0.41) GAACDK1MAPTTP53GLA
SCHEMBL10569523 0.76 GAA (0.51) GAACDK1MAPTTP53GLA
SCHEMBL11043791 0.74 GAA (0.49) GAACDK1MAPTTP53GLA
SCHEMBL8537555 0.72 GAA (0.54) GAACDK1MAPTTP53GLA
SCHEMBL9809038 0.71 GAA (0.46) GAACDK1MAPTTP53GLA
SCHEMBL10616134 0.71 GAA (0.67) GAACDK1MAPTTP53GLA
SCHEMBL11041517 0.71 GAA (0.55) GAACDK1MAPTTP53GLA
SCHEMBL10566127 0.71 SMN1; SMN2 (0.46) GAACDK1MAPTTP53GLA
SCHEMBL10568375 0.71 KDM4E (0.51) GAACDK1MAPTTP53GLA
SCHEMBL10665487 0.71 GAA (0.52) 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
US-5356862-A Herbicidal sulfonylureas E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-10-18 US disclosed