SCHEMBL8780949

SCHEMBL8780949

CCS(=O)(=O)c1ccc(N(C)C(C)=O)cc1S(N)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ACLY P53396 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
CA12 O43570 4/20 0.34
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
CA9 Q16790 3/20 0.34
RAB9A P51151 2/20 0.34
PDK2 Q15119 1/20 0.34
SRD5A1 P18405 2/20 0.34
COMT P21964 1/20 0.33
HSD11B1 P28845 1/20 0.32

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
SCHEMBL8780963 0.81 ACLY (0.39) ALOX15HSD17B10ACLYSMN1; SMN2POLB
SCHEMBL8780958 0.79 ALOX15 (0.35) ALOX15HSD17B10ACLYSMN1; SMN2POLB
SCHEMBL8662952 0.74 CA2 (0.54) HSD17B10ACLYSMN1; SMN2POLBALDH1A1
SCHEMBL24212481 0.72 PIK3C3 (0.47) HSD17B10
SCHEMBL30511340 0.72 PIK3C3 (0.47) HSD17B10
SCHEMBL8780955 0.71 CA12 (0.36) ALOX15HSD17B10ACLYCA12CA1
SCHEMBL8780855 0.70 GAA (0.51) SMN1; SMN2ALDH1A1MAPTLMNAMAPK1
SCHEMBL345228 0.70 PDK2 (0.43) ALOX15HSD17B10ACLYSMN1; SMN2POLB
SCHEMBL23120303 0.69 ALOX15 (0.33) ALOX15HSD17B10ACLYSMN1; SMN2POLB
SCHEMBL23120284 0.68 ACLY (0.32) ALOX15HSD17B10ACLYSMN1; SMN2POLB

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