SCHEMBL8486451

SCHEMBL8486451

COCC1CCCN1S(=O)(=O)c1ccc(N)cc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 17/20 0.60
CASP7 P55210 16/20 0.60
CASP9 P55211 1/20 0.60
KCNH2 Q12809 1/20 0.59
HRH3 Q9Y5N1 1/20 0.59
CASP1 P29466 1/20 0.53

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
SCHEMBL15013035 0.88 CASP3 (0.64) CASP3CASP7CASP9KCNH2HRH3
SCHEMBL15013036 0.88 CASP3 (0.64) CASP3CASP7CASP9KCNH2HRH3
SCHEMBL12169307 0.88 CASP3 (0.64) CASP3CASP7CASP9KCNH2HRH3
SCHEMBL14132624 0.87 CASP3 (0.57) CASP3CASP7CASP9KCNH2HRH3
SCHEMBL15800500 0.86 CASP3 (0.64) CASP3CASP7CASP9KCNH2HRH3
SCHEMBL15256571 0.86 CASP3 (0.64) CASP3CASP7CASP9KCNH2HRH3
SCHEMBL791701 0.86 CASP3 (0.59) CASP3CASP7CASP9KCNH2HRH3
SCHEMBL12188937 0.85 KCNH2 (0.64) CASP3CASP7CASP9KCNH2HRH3
SCHEMBL12188954 0.85 KCNH2 (0.64) CASP3CASP7CASP9KCNH2HRH3
SCHEMBL12169355 0.84 CASP3 (0.57) CASP3CASP7CASP9KCNH2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999032466-A1 SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE NOVARTIS AG (CH) 1999-07-01 WO disclosed