SCHEMBL7765655

SCHEMBL7765655

N#Cc1ccc(S(=O)(=O)Cl)c(C#N)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 5/20 0.60
STS P08842 1/20 0.42
RAD51 Q06609 1/20 0.41
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
HSD11B1 P28845 1/20 0.37
VCAM1 P19320 1/20 0.36
CA9 Q16790 2/20 0.35
IMPDH2 P12268 1/20 0.35
IMPDH1 P20839 1/20 0.35
CA12 O43570 1/20 0.35
CASP3 P42574 1/20 0.34
SLC22A12 Q96S37 2/20 0.34
PTGES2 Q9H7Z7 1/20 0.34

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
SCHEMBL29273424 0.84 TRPV4 (0.46) TRPV4STSRAD51CA1CA2
SCHEMBL19682467 0.81 TRPV4 (0.49) TRPV4VCAM1SLC22A12
SCHEMBL1020883 0.81 TRPV4 (0.60) TRPV4RAD51CA1CA2HSD11B1
SCHEMBL29948706 0.81 TRPV4 (0.60) TRPV4RAD51CA1CA2HSD11B1
SCHEMBL29948991 0.79 TRPV4 (0.58) TRPV4RAD51CA1CA2HSD11B1
SCHEMBL2889391 0.79 TRPV4 (0.63) TRPV4RAD51CA1CA2HSD11B1
SCHEMBL2224799 0.79 TRPV4 (0.58) TRPV4RAD51CA1CA2HSD11B1
SCHEMBL30033203 0.79 TRPV4 (0.63) TRPV4RAD51CA1CA2HSD11B1
SCHEMBL16080223 0.79 TRPV4 (0.46) TRPV4SLC22A12PTGES2
SCHEMBL711705 0.79 TRPV4 (0.42) TRPV4SLC22A12

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-0945449-B1 Process for the preparation of saccharincarboxylic acid halides BASF AG (DE) 2001-05-23 EP disclosed
US-5981758-A Preparation of saccharincarbonyl halides BASF AKTIENGESELLSCHAFT (DE) 1999-11-09 US disclosed
EP-0945449-A1 Process for the preparation of saccharincarboxylic acid halides BASF AKTIENGESELLSCHAFT (DE) 1999-09-29 EP disclosed