SCHEMBL10753263

SCHEMBL10753263

C=C(C)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)cc(OC)n1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CDK1 P06493 1/20 0.47
TP53 P04637 1/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
CYP1A2 P05177 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL10758971 0.94 GAA (0.57) GAACDK1TP53GLAMAPT
SCHEMBL8794044 0.92 GAA (0.52) GAATSHRSMN1; SMN2CDK1TP53
SCHEMBL10758180 0.90 GAA (0.45) GAATSHRMAPTTHRBKDM4E
SCHEMBL10506007 0.89 TSHR (0.53) GAATSHRSMN1; SMN2CDK1TP53
SCHEMBL9419172 0.89 GAA (0.52) GAATSHRSMN1; SMN2CDK1TP53
SCHEMBL10818539 0.87 TSHR (0.50) GAATSHRSMN1; SMN2CDK1TP53
SCHEMBL10511740 0.87 CDK1 (0.63) GAATSHRSMN1; SMN2CDK1TP53
SCHEMBL10920841 0.86 GAA (0.54) GAATSHRSMN1; SMN2CDK1TP53
SCHEMBL11560856 0.86 GAA (0.55) GAATSHRSMN1; SMN2CDK1TP53
SCHEMBL10508580 0.85 GAA (0.47) GAATSHRSMN1; SMN2CDK1TP53

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0044210-B1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-04-03 EP claimed
US-4474601-A HETEROCYCLICAMINOCARBONYL DERIVATIVES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-10-02 US claimed
EP-0044210-A1 Herbicidal sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-01-20 EP claimed
US-4640704-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-02-03 US disclosed
US-4582525-A PRE-AND POST- EMERGENCE HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-04-15 US disclosed
EP-0044210-B1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-04-03 EP disclosed
US-4474601-A HETEROCYCLICAMINOCARBONYL DERIVATIVES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-10-02 US disclosed
US-4368069-A PRE- AND POSTEMERGENCE HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1983-01-11 US disclosed