SCHEMBL8780955

SCHEMBL8780955

CCc1c(S)cc(N(C)C(C)=O)cc1S(N)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ACLY P53396 1/20 0.30

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
SCHEMBL8780760 0.82 ACLY (0.33) ALOX15HSD17B10ACLY
SCHEMBL8780949 0.71 ALOX15 (0.37) CA12CA1CA2CA9ALOX15
SCHEMBL8780958 0.69 ALOX15 (0.35) CA12CA1CA2CA9ALOX15
SCHEMBL8602639 0.66 CA12 (0.32) CA12CA1CA2CA9
SCHEMBL8662952 0.64 CA2 (0.54) CA12CA1CA2CA9HSD17B10
SCHEMBL24212481 0.62 PIK3C3 (0.47) HSD17B10
SCHEMBL30511340 0.62 PIK3C3 (0.47) HSD17B10
SCHEMBL7838515 0.60 SMN1; SMN2 (0.39) ALOX15HSD17B10ACLY
SCHEMBL345228 0.59 PDK2 (0.43) ALOX15HSD17B10ACLY
SCHEMBL879774 0.59 SMN1; SMN2 (0.41) ALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0790985-A1 N-ACYL-N-ALKYLAMINO PHENYL SULPHONYL UREAS WITH SULPHUR SUBSTITUENTS, PROCESS FOR THEIR PRODUCTION AND USE AS HERBICIDES AND PLANT GROWTH REGULATORS Hoechst Schering AgrEvo GmbH (DE) 1997-08-27 EP disclosed
WO-1996014304-A1 N-ACYL-N-ALKYLAMINO PHENYL SULPHONYL UREAS WITH SULPHUR SUBSTITUENTS, PROCESS FOR THEIR PRODUCTION AND USE AS HERBICIDES AND PLANT GROWTH REGULATORS HOECHST SCHERING AGREVO GMBH (DE) 1996-05-17 WO disclosed