SCHEMBL8662947

SCHEMBL8662947

COC(=O)c1ccc(NCC(C)=O)cc1S(N)(=O)=O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.52
CA1 P00915 7/20 0.52
CA9 Q16790 5/20 0.52
CA5A P35218 1/20 0.52
CDK1 P06493 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.43
EGFR P00533 5/20 0.42
CA12 O43570 5/20 0.41
CA7 P43166 3/20 0.41
NOX4 Q9NPH5 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK4 Q16654 1/20 0.39
CA14 Q9ULX7 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
CA4 P22748 1/20 0.38

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
SCHEMBL8539148 0.81 CA2 (0.59) CA2CA1CA9CA5ACDK1
SCHEMBL27452999 0.80 CA2 (0.54) CA2CA1CA9CA5ACDK1
SCHEMBL8802884 0.79 CA2 (0.42) CA2CA1CA9CA5AGAA
SCHEMBL7465893 0.78 CA2 (0.52) CA2CA1CA9CA5ACDK1
SCHEMBL8539913 0.78 CA2 (0.55) CA2CA1CA9CA5ACDK1
SCHEMBL21962894 0.77 CA2 (0.61) CA2CA1CA9CA5ASMN1; SMN2
SCHEMBL27453911 0.77 CA2 (0.54) CA2CA1CA9CA5ACDK1
SCHEMBL8030650 0.76 GAA (0.67) CA2CA1CA9CA5ACDK1
SCHEMBL11372105 0.75 CA1 (0.63) CA2CA1CA9CA5ASMN1; SMN2
SCHEMBL22010624 0.75 CA2 (0.63) CA2CA1CA9CA5ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5723409-A Intermediates for the preparation of phenylsulfonylurea herbicides and plant growth regulators HOECHST SCHERING AGREVO GMBH (DE) 1998-03-03 US disclosed
EP-0666852-B1 NEW PHENYLSULPHONYL UREAS, THEIR PREPARATION AND THEIR USE AS HERBICIDES AND PLANT-GROWTH REGULATORS HOECHST SCHERING AGREVO GMBH (DE) 1997-01-22 EP disclosed
US-5449812-A Substituted benzenesulfonamide derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1995-09-12 US disclosed
EP-0666852-A1 NEW PHENYLSULPHONYL UREAS, THEIR PREPARATION AND THEIR USE AS HERBICIDES AND PLANT-GROWTH REGULATORS. HOECHST SCHERING AGREVO GMBH (DE) 1995-08-16 EP disclosed
WO-1994010154-A1 NEW PHENYLSULPHONYL UREAS, THEIR PREPARATION AND THEIR USE AS HERBICIDES AND PLANT-GROWTH REGULATORS HOECHST SCHERING AGREVO GMBH (DE) 1994-05-11 WO disclosed