SCHEMBL9754346

SCHEMBL9754346

COC(=O)c1cccc(CC#N)c1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC(F)F)n1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
CDK1 P06493 1/20 0.40
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
MAPT P10636 1/20 0.36
FBP1 P09467 2/20 0.34
CYP1A2 P05177 1/20 0.33
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 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
SCHEMBL9522741 0.90 GAA (0.44) GAACDK1TP53GLAMAPT
SCHEMBL9522860 0.88 GAA (0.44) GAACDK1TP53GLAMAPT
SCHEMBL9522740 0.88 GAA (0.45) GAACDK1TP53GLAMAPT
SCHEMBL9522725 0.83 KDM4E (0.39) GAAALDH1A1
SCHEMBL9754517 0.83 GAA (0.54) GAACDK1TP53GLAMAPT
SCHEMBL9467729 0.80 GAA (0.53) GAACDK1TP53GLAMAPT
SCHEMBL9754529 0.79 GAA (0.53) GAACDK1TP53GLAMAPT
SCHEMBL9140753 0.77 GAA (0.48) GAACDK1MAPT
SCHEMBL29508602 0.77 GAA (0.48) GAACDK1MAPT
SCHEMBL118690 0.77 GAA (0.48) GAACDK1MAPT

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
WO-1991015478-A1 CROP-SELECTIVE HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-10-17 WO disclosed