SCHEMBL9754529

SCHEMBL9754529

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

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
CDK1 P06493 1/20 0.44
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 1/20 0.40
CYP1A2 P05177 1/20 0.39
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL9754517 0.83 GAA (0.54) GAACDK1TP53GLAMAPT
SCHEMBL9524070 0.82 GAA (0.42) GAACDK1KDM4EKMT2AATM
SCHEMBL10984018 0.80 GAA (0.60) GAACDK1TP53GLAMAPT
SCHEMBL10753404 0.79 GAA (0.49) GAACDK1TP53GLAMAPT
SCHEMBL1405765 0.79 GAA (0.59) GAACDK1TP53GLAMAPT
SCHEMBL9754346 0.79 GAA (0.46) GAACDK1TP53GLAMAPT
SCHEMBL7456581 0.78 GAA (0.49) GAACDK1TP53GLAMAPT
SCHEMBL7922544 0.78 GAA (0.49) GAACDK1TP53GLAMAPT
SCHEMBL11045546 0.78 GAA (0.54) GAACDK1TP53GLAMAPT
SCHEMBL9467729 0.78 GAA (0.53) 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
WO-1991015478-A1 CROP-SELECTIVE HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-10-17 WO disclosed