SCHEMBL9022252

SCHEMBL9022252

COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(C)cn(C)c2C(=O)O)n1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
CDK1 P06493 1/20 0.44
CYP1A2 P05177 1/20 0.42
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
NLRP3 Q96P20 1/20 0.36
KMT2A Q03164 2/20 0.36
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
FBP1 P09467 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
SCHEMBL6313355 0.78 GAA (0.57) GAACDK1CYP1A2MAPTTP53
SCHEMBL10569523 0.77 GAA (0.51) GAACDK1CYP1A2MAPTTP53
SCHEMBL9394302 0.77 GAA (0.56) GAACDK1CYP1A2MAPTTP53
SCHEMBL10984018 0.76 GAA (0.60) GAACDK1CYP1A2MAPTTP53
SCHEMBL9517853 0.76 GAA (0.52) GAACDK1CYP1A2MAPTTP53
SCHEMBL9365012 0.75 GAA (0.53) GAACDK1CYP1A2MAPTTP53
SCHEMBL3302270 0.75 GAA (0.53) GAACDK1CYP1A2MAPTTP53
SCHEMBL8474705 0.75 GAA (0.53) GAACDK1CYP1A2MAPTTP53
SCHEMBL9022246 0.75 GAA (0.56) GAACDK1CYP1A2MAPTTP53
SCHEMBL10566127 0.74 SMN1; SMN2 (0.46) 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-0546082-B1 HERBICIDAL PYRROLESULFONYLUREAS DU PONT (US) 1996-12-18 EP disclosed