SCHEMBL12436261

SCHEMBL12436261

COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)O)c(CI)c1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 20/20 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
SCHEMBL700853 0.90 BDKRB1 (0.62) BDKRB1
SCHEMBL15347791 0.89 BDKRB1 (0.61) BDKRB1
SCHEMBL3439888 0.79 BDKRB1 (0.61) BDKRB1
SCHEMBL4128251 0.79 BDKRB1 (0.61) BDKRB1
SCHEMBL12317400 0.79 BDKRB1 (0.61) BDKRB1
SCHEMBL14033588 0.79 BDKRB1 (0.56) BDKRB1
SCHEMBL4484352 0.79 BDKRB1 (0.51) BDKRB1
SCHEMBL15372717 0.79 BDKRB1 (0.47) BDKRB1
SCHEMBL493384 0.79 BDKRB1 (0.49) BDKRB1
SCHEMBL15347789 0.78 BDKRB1 (0.60) BDKRB1

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
EP-2240458-B1 ARYL SULFONAMIDES AS EFFECTIVE ANALGESICS BOEHRINGER INGELHEIM INT (DE) 2011-08-03 EP disclosed