SCHEMBL9522741

SCHEMBL9522741

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

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
CDK1 P06493 1/20 0.39
TP53 P04637 1/20 0.35
GLA P06280 1/20 0.35
MAPT P10636 1/20 0.35
CYP1A2 P05177 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL9754346 0.90 GAA (0.46) GAACDK1TP53GLAMAPT
SCHEMBL9522860 0.87 GAA (0.44) GAACDK1TP53GLAMAPT
SCHEMBL9522740 0.86 GAA (0.45) GAACDK1TP53GLAMAPT
SCHEMBL9522725 0.82 KDM4E (0.39) GAAALDH1A1MEN1KMT2A
SCHEMBL9754517 0.82 GAA (0.54) GAACDK1TP53GLAMAPT
SCHEMBL9754529 0.77 GAA (0.53) GAACDK1TP53GLAMAPT
SCHEMBL9657744 0.76 GAA (0.49) GAACDK1TP53GLAMAPT
SCHEMBL9523882 0.74 GAA (0.42) GAACDK1MEN1KMT2A
SCHEMBL7456581 0.72 GAA (0.49) GAACDK1TP53GLAMAPT
SCHEMBL10984018 0.71 GAA (0.60) GAACDK1TP53GLAMAPT

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-0523067-A1 CROP-SELECTIVE HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-01-20 EP disclosed