SCHEMBL11090288

SCHEMBL11090288

NC1=NS(=O)(=O)c2cccc(F)c21

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.36
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34
NOS3 P29474 3/20 0.33
NOS2 P35228 3/20 0.33
CXCR2 P25025 3/20 0.33
CXCR1 P25024 1/20 0.33
NOS1 P29475 2/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
HRH4 Q9H3N8 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KCNA3 P22001 1/20 0.31
TTR P02766 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
SCHEMBL10996068 0.79 LMNA (0.41) CA12CA1CA2CA9CA4
SCHEMBL2449016 0.78 CXCR2 (0.38) CA12CA1CA2CA9CA4
SCHEMBL2564355 0.78 RET (0.43) CA12CA1CA2CA9CA4
SCHEMBL11165904 0.78 CXCR2 (0.37) CA12CA1CA2CA9CXCR2
SCHEMBL2573400 0.74 HSD17B10 (0.48) CA1CA2CA9CA7CXCR2
SCHEMBL13903712 0.74 KCNA3 (0.38) CA12CA1CA2CA9LMNA
SCHEMBL2452257 0.70 ALDH1A1 (0.37) CXCR2CXCR1LMNATHRBALDH1A1
SCHEMBL13903718 0.70 HTT (0.43) CA12CA1CA2CA9LMNA
SCHEMBL11090264 0.70 ALDH1A1 (0.49) CXCR2CXCR1LMNATHRBALDH1A1
SCHEMBL1783661 0.70 BACE1 (0.34) BACE1NOS3NOS2NOS1

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
WO-2009141065-A2 (1,2-BENZISOTHIAZOL-3-YL)(THIO)CARBAMATES AND (1,2-BENZISOTHIAZOL-3-YL)(THIO)OXAMATES AND THE OXIDATION FORMS THEREOF FOR USE AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2009-11-26 WO disclosed
EP-2123159-A1 (1,2-Benzisothiazol-3-yl)(thio)carbamates and (1,2-Benzisothiazol-3-yl)(thio)oxamates and their oxidation forms as pesticides Bayer CropScience AG (DE) 2009-11-25 EP disclosed
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