SCHEMBL4539752

SCHEMBL4539752

Cc1c(Cl)cccc1S(=O)(=O)N1CCCC1CNC(=O)[C]1CCCCCCC1.[CH2].[CH2]

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.56
RAB9A P51151 1/20 0.45
BDKRB2 P30411 1/20 0.43
BDKRB1 P46663 1/20 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
SCHEMBL4542462 0.90 RAB9A (0.46) HSD11B1RAB9A
SCHEMBL4531367 0.87 RAB9A (0.43) HSD11B1RAB9A
SCHEMBL4541794 0.87 HSD11B1 (0.54) HSD11B1BDKRB2BDKRB1
SCHEMBL4537325 0.86 MEN1 (0.51) RAB9A
SCHEMBL4539833 0.84 HSD11B1 (0.53) HSD11B1BDKRB2BDKRB1
SCHEMBL4533525 0.83 KMT2A (0.48) RAB9A
SCHEMBL4539750 0.83 HSD11B1 (0.52) HSD11B1
SCHEMBL4531620 0.83 HSD11B1 (0.58) HSD11B1
SCHEMBL4530295 0.82 POLB (0.44) RAB9A
SCHEMBL4533331 0.80 HTR1A (0.56) RAB9A

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-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 WO disclosed