SCHEMBL9724731

SCHEMBL9724731

COC(=O)c1cc(CO)ccc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
CDK1 P06493 2/20 0.51
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
MAPT P10636 1/20 0.42
CYP1A2 P05177 1/20 0.42
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA3 P07451 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39

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
SCHEMBL9724767 0.90 GAA (0.54) GAACDK1TP53GLAMAPT
SCHEMBL8106622 0.85 GAA (0.58) GAACDK1TP53GLAMAPT
SCHEMBL1405765 0.84 GAA (0.59) GAACDK1TP53GLAMAPT
SCHEMBL9657671 0.82 GAA (0.54) GAACDK1TP53GLAMAPT
SCHEMBL7458052 0.81 CDK1 (0.52) GAACDK1TP53GLAMAPT
SCHEMBL19283719 0.81 CDK1 (0.52) GAACDK1TP53GLAMAPT
SCHEMBL7933527 0.81 CDK1 (0.52) GAACDK1TP53GLAMAPT
SCHEMBL116828 0.81 CDK1 (0.52) GAACDK1TP53GLAMAPT
SCHEMBL9387441 0.80 GAA (0.52) GAACDK1TP53GLAMAPT
SCHEMBL10396567 0.80 GAA (0.54) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5160363-A For sugarbeets E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-11-03 US claimed
EP-0422031-A1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-04-17 EP claimed
WO-1989010921-A1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-11-16 WO claimed
US-5160363-A For sugarbeets E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-11-03 US disclosed
EP-0422031-A1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-04-17 EP disclosed
WO-1989010921-A1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-11-16 WO disclosed