SCHEMBL4537324

SCHEMBL4537324

Cc1ccccc1S(=O)(=O)N1CCCC1CNC(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45

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 0.97 KMT2A (0.44) MEN1KMT2AL3MBTL1RAB9ANPC1
SCHEMBL8058698 0.97 KMT2A (0.44) MEN1KMT2AL3MBTL1RAB9ANPC1
SCHEMBL4542459 0.88 P2RX7 (0.42)
SCHEMBL4539750 0.87 HSD11B1 (0.52)
SCHEMBL4530191 0.86 EPHX2 (0.50) RAB9ANPC1
SCHEMBL4541859 0.85 RAB9A (0.54) RAB9A
SCHEMBL4531364 0.85 HSD11B1 (0.44) KMT2A
SCHEMBL4541154 0.84 RAB9A (0.56) RAB9A
SCHEMBL4537337 0.83 ATM (0.46) KMT2ARAB9A
SCHEMBL4537565 0.82 RAB9A (0.51) RAB9ANPC1

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