SCHEMBL4537337

SCHEMBL4537337

N#Cc1ccccc1S(=O)(=O)N1CCCCC1CNC(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
HSD11B1 P28845 3/20 0.44
GRM5 P41594 1/20 0.41
HPGD P15428 1/20 0.40
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
RAB9A P51151 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
SCHEMBL4533522 0.87 KMT2A (0.44) HPGDALDH1A1KMT2AMCOLN3RAB9A
SCHEMBL8058698 0.87 KMT2A (0.44) HPGDALDH1A1KMT2AMCOLN3RAB9A
SCHEMBL4531364 0.87 HSD11B1 (0.44) HSD11B1HPGDLMNAGAAALDH1A1
SCHEMBL4537565 0.84 RAB9A (0.51) HPGDALDH1A1RAB9A
SCHEMBL4537339 0.84 ATM (0.49) ATMALDH1A1KMT2AMCOLN3RAB9A
SCHEMBL4537324 0.83 MEN1 (0.47) KMT2ARAB9A
SCHEMBL4542459 0.83 P2RX7 (0.42) HSD11B1HPGD
SCHEMBL4538972 0.83 HSD11B1 (0.46) HSD11B1
SCHEMBL8063845 0.81 HSD11B1 (0.44) HSD11B1ALDH1A1
SCHEMBL4541859 0.81 RAB9A (0.54) HPGDGAAALDH1A1RAB9A

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