SCHEMBL4539749

SCHEMBL4539749

N#Cc1ccccc1S(=O)(=O)N1CCC(CNC(=O)C23CC4CC(CC(C4)C2)C3)C1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.45
ATM Q13315 1/20 0.45
HPGD P15428 1/20 0.44
GRM1 Q13255 3/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
GRM5 P41594 1/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TRPV4 Q9HBA0 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL4533110 0.86 HPGD (0.46) HSD11B1HPGDALDH1A1LMNAGAA
SCHEMBL4539753 0.86 HDAC3 (0.49) HPGDHTR2AHTR2CALDH1A1LMNA
SCHEMBL8064823 0.86 HPGD (0.46) HSD11B1HPGDALDH1A1LMNAGAA
SCHEMBL4542831 0.83 ALDH1A1 (0.53) HPGDALDH1A1PKMLMNAGAA
SCHEMBL4542100 0.83 ALDH1A1 (0.46) HPGDALDH1A1GAAL3MBTL1
SCHEMBL4539751 0.82 ATM (0.50) HSD11B1ATMHTR2AHTR2CKDM4E
SCHEMBL4539846 0.82 JAK2 (0.43) HPGDALDH1A1LMNAGAAJAK2
SCHEMBL4542865 0.82 HPGD (0.43) HSD11B1HPGDALDH1A1LMNAGAA
SCHEMBL4538127 0.82 CCR1 (0.46) HSD11B1HPGD
SCHEMBL4537337 0.81 ATM (0.46) HSD11B1ATMHPGDGRM5ALDH1A1

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