SCHEMBL4539847

SCHEMBL4539847

N#Cc1cccc(S(=O)(=O)N2CCC(CNC(=O)[C]3CCCCCCC3)C2)c1.[CH2].[CH2]

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.44
JAK2 O60674 4/20 0.43
JAK1 P23458 4/20 0.43
MAPT P10636 2/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
OPRK1 P41145 1/20 0.40
F10 P00742 1/20 0.40
AKR1C3 P42330 2/20 0.39
AKR1C1 Q04828 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
SCHEMBL4542103 0.88 EPHX2 (0.51) USP30MAPTL3MBTL1
SCHEMBL4530586 0.85 EPHX2 (0.52) MAPTL3MBTL1
SCHEMBL4543003 0.85 CNR1 (0.48) TDP1L3MBTL1
SCHEMBL4535854 0.85 KMT2A (0.47) MAPTL3MBTL1
SCHEMBL4542832 0.85 ALDH1A1 (0.54) L3MBTL1
SCHEMBL4534333 0.83 PKM (0.50) MAPTPOLBL3MBTL1
SCHEMBL4539846 0.82 JAK2 (0.43) USP30JAK2JAK1POLBL3MBTL1
SCHEMBL4539837 0.82 MEN1 (0.55) MAPTPOLB
SCHEMBL4537743 0.82 EPHX2 (0.48) MAPT
SCHEMBL4539370 0.82 KMT2A (0.48) MAPTPOLBL3MBTL1AKR1C3

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