SCHEMBL8780958

SCHEMBL8780958

CCSc1ccc(N(C)C(C)=O)cc1S(N)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA12 O43570 2/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
SRD5A1 P18405 3/20 0.34
ACLY P53396 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
PDK2 Q15119 1/20 0.32
RAB9A P51151 1/20 0.32
FSCN1 Q16658 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31

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
SCHEMBL8780764 0.82 ACLY (0.37) ALOX15HSD17B10SRD5A1ACLYSMN1; SMN2
SCHEMBL8780949 0.79 ALOX15 (0.37) ALOX15HSD17B10CA1CA2CA12
SCHEMBL8662952 0.71 CA2 (0.54) HSD17B10CA1CA2CA12CA9
SCHEMBL8780955 0.69 CA12 (0.36) ALOX15HSD17B10CA1CA2CA12
SCHEMBL7545831 0.68 ALOX15 (0.46) ALOX15HSD17B10CA1CA2CA12
SCHEMBL345228 0.67 PDK2 (0.43) ALOX15HSD17B10ACLYSMN1; SMN2POLB
SCHEMBL8602636 0.67 LMNA (0.36) ALOX15HSD17B10CA1CA2CA12
SCHEMBL879774 0.64 SMN1; SMN2 (0.41) ALOX15HSD17B10SRD5A1SMN1; SMN2POLB
SCHEMBL8780963 0.64 ACLY (0.39) ALOX15HSD17B10SRD5A1ACLYSMN1; SMN2
SCHEMBL14341655 0.64 SMN1; SMN2 (0.61) ALOX15HSD17B10SRD5A1SMN1; 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