SCHEMBL9522740

SCHEMBL9522740

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

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
CDK1 P06493 1/20 0.41
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
MAPT P10636 1/20 0.36
CYP1A2 P05177 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SDHB P21912 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
SCHEMBL9754346 0.88 GAA (0.46) GAACDK1TP53GLAMAPT
SCHEMBL9522860 0.87 GAA (0.44) GAACDK1TP53GLAMAPT
SCHEMBL9522741 0.86 GAA (0.44) GAACDK1TP53GLAMAPT
SCHEMBL9522725 0.82 KDM4E (0.39) GAAALDH1A1
SCHEMBL9754517 0.82 GAA (0.54) GAACDK1TP53GLAMAPT
SCHEMBL9657744 0.78 GAA (0.49) GAACDK1TP53GLAMAPT
SCHEMBL7932024 0.76 GAA (0.53) GAACDK1TP53GLAMAPT
SCHEMBL10645916 0.75 GAA (0.53) GAACDK1TP53GLAMAPT
SCHEMBL9754529 0.74 GAA (0.53) GAACDK1TP53GLAMAPT
SCHEMBL1405765 0.73 GAA (0.59) 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