SCHEMBL5111789

SCHEMBL5111789

COc1cc(C)c(S(=O)(=O)N(C)CCCCC(=O)CNCc2ccc(C3=NCCN3C(=O)O)cc2)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 20/20 0.43

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
SCHEMBL5115140 0.89 BDKRB1 (0.38) BDKRB1
SCHEMBL5124710 0.89 BDKRB1 (0.51) BDKRB1
SCHEMBL5111773 0.85 BDKRB1 (0.53) BDKRB1
SCHEMBL5125825 0.84 MEN1 (0.35) BDKRB1
SCHEMBL5125808 0.81 BDKRB1 (0.55) BDKRB1
SCHEMBL5119291 0.81 SLC2A1 (0.37) BDKRB1
SCHEMBL5110791 0.79 FLT3 (0.36)
SCHEMBL5117129 0.78 BDKRB1 (0.45) BDKRB1
SCHEMBL5115128 0.78 BDKRB1 (0.43) BDKRB1
SCHEMBL5124693 0.77 BDKRB1 (0.69) 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
US-7361687-B2 Arylsulphonamide derivatives and methods of preparing LABORATOIRES FOURNIER SA (FR) 2008-04-22 US disclosed