SCHEMBL4537339

SCHEMBL4537339

N#Cc1ccccc1S(=O)(=O)N1CCCCC1CNC(=O)[C]1CCCCCCC1.[CH2].[CH2]

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.49
RAB9A P51151 1/20 0.43
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 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
SCHEMBL4533525 0.85 KMT2A (0.48) RAB9AALDH1A1KMT2AMCOLN3
SCHEMBL4531367 0.85 RAB9A (0.43) RAB9AALDH1A1KMT2AMCOLN3OPRM1
SCHEMBL4537337 0.84 ATM (0.46) ATMRAB9AALDH1A1KMT2AMCOLN3
SCHEMBL4537566 0.83 RAB9A (0.57) RAB9AALDH1A1
SCHEMBL4537325 0.82 MEN1 (0.51) RAB9AKMT2A
SCHEMBL4542462 0.82 RAB9A (0.46) RAB9A
SCHEMBL4539751 0.82 ATM (0.50) ATMCTSLCTSBCTSKALDH1A1
SCHEMBL4538974 0.81 CYP19A1 (0.39) RAB9AKMT2A
SCHEMBL4541860 0.79 RAB9A (0.61) RAB9A
SCHEMBL4541692 0.78 RAB9A (0.47) RAB9AALDH1A1KMT2AMCOLN3

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