SCHEMBL4539751

SCHEMBL4539751

N#Cc1ccccc1S(=O)(=O)N1CCC(CNC(=O)[C]2CCCCCCC2)C1.[CH2].[CH2]

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
CTDSP1 Q9GZU7 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 1/20 0.41
USP30 Q70CQ3 3/20 0.40
PKM P14618 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GPR183 P32249 1/20 0.38
HSD11B1 P28845 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38

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
SCHEMBL4533116 0.85 EPHX2 (0.50) L3MBTL1ALDH1A1
SCHEMBL4539756 0.85 HDAC3 (0.50) HTR2AHTR2CALDH1A1HSD11B1
SCHEMBL4539749 0.82 HSD11B1 (0.45) ATMHTR2AHTR2CCTDSP1TDP1
SCHEMBL4542832 0.82 ALDH1A1 (0.54) L3MBTL1PKMALDH1A1
SCHEMBL4542103 0.82 EPHX2 (0.51) L3MBTL1USP30ALDH1A1
SCHEMBL4537339 0.82 ATM (0.49) ATMCTSLCTSBCTSKALDH1A1
SCHEMBL4538131 0.81 HDAC3 (0.46) ALDH1A1HSD11B1
SCHEMBL4542868 0.81 EPHX2 (0.46) L3MBTL1ALDH1A1HSD11B1
SCHEMBL4539847 0.81 USP30 (0.44) TDP1L3MBTL1USP30JAK2JAK1
SCHEMBL4542825 0.79 HDAC3 (0.53) HTR2AHTR2CL3MBTL1ALDH1A1

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