SCHEMBL11085124

SCHEMBL11085124

N#Cc1c(F)cccc1S(N)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 7/20 0.44
CA2 P00918 7/20 0.41
CA9 Q16790 5/20 0.41
CA1 P00915 5/20 0.41
CA12 O43570 4/20 0.41
CA6 P23280 3/20 0.39
CA4 P22748 2/20 0.39
CA5A P35218 2/20 0.39
CA7 P43166 2/20 0.39
CA5B Q9Y2D0 2/20 0.39
CYP2C9 P11712 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CDK2 P24941 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SGK1 O00141 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
SCHEMBL18297588 0.81 CA2 (0.44) PTGES2CA2CA9CA1CA12
SCHEMBL970204 0.81 TRPV4 (0.42) KDM4EALDH1A1HPGDHSD17B10SGK1
SCHEMBL15461576 0.81 EPAS1 (0.45) CYP2C9KDM4EALDH1A1HPGDHSD17B10
SCHEMBL27731026 0.79 STAT3 (0.42) PTGES2CA2CA9CA1CA12
SCHEMBL2431935 0.78 CYP1A2 (0.43) PTGES2CA2CA9CA1CA12
SCHEMBL11091075 0.78 SLC22A12 (0.46) PTGES2CA2CA9CA1CA12
SCHEMBL11089868 0.77 ALDH1A1 (0.56) CYP2C9KDM4EALDH1A1HPGDHSD17B10
SCHEMBL11087332 0.77 ALDH1A1 (0.37) KDM4EALDH1A1HPGDHSD17B10SGK1
SCHEMBL11092954 0.76 SGK1 (0.40) PTGES2KDM4EALDH1A1HPGDHSD17B10
Ammonia Solution, Strong SCHEMBL27806367 0.76 SLC22A12 (0.48) PTGES2CA2CA9CA1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0033984-B1 NEW SULPHONYL COMPOUNDS, METHOD OF PREPARING THE NEW COMPOUNDS, AS WELL AS APHICIDAL COMPOSITIONS ON THE BASIS OF THE NEW COMPOUNDS DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1984-06-06 EP disclosed
US-4379157-A Sulphonyl compounds, method of preparing the new compounds, as well as aphicidal compositions on the basis of the new compounds DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1983-04-05 US disclosed
EP-0033984-A1 New sulphonyl compounds, method of preparing the new compounds, as well as aphicidal compositions on the basis of the new compounds DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1981-08-19 EP disclosed