SCHEMBL4542922

SCHEMBL4542922

COc1ccc(S(=O)(=O)N2CCCC2CNC(=O)C23CC4CC(CC(C4)C2)C3)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.49
NPC1 O15118 1/20 0.49
PAX8 Q06710 1/20 0.46
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL4537168 0.97 RAB9A (0.47) RAB9ANPC1PAX8
SCHEMBL4536862 0.89 ALDH1A1 (0.52) RAB9ANPC1PAX8HCRTR1HCRTR2
SCHEMBL4538117 0.85 FKBP1A (0.48) RAB9ANPC1PAX8MEN1KMT2A
SCHEMBL8064689 0.85 RAB9A (0.43) RAB9ANPC1PAX8HCRTR1HCRTR2
SCHEMBL8068365 0.84 RAB9A (0.42) RAB9ANPC1PAX8
SCHEMBL4537594 0.84 ALDH1A1 (0.51) NPC1MEN1KMT2A
SCHEMBL4542926 0.84 RAB9A (0.54) RAB9ANPC1PAX8HCRTR1HCRTR2
SCHEMBL4541158 0.83 ALDH1A1 (0.49) MEN1KMT2A
SCHEMBL4541691 0.82 ALDH1A1 (0.44) RAB9ANPC1MEN1KMT2A
SCHEMBL4542326 0.82 RAB9A (0.47) RAB9ANPC1MEN1KMT2A

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 1 patent. 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 disclosed