SCHEMBL8066636

SCHEMBL8066636

Cc1ccc(S(=O)(=O)N2CCCCC2CNC(=O)N[C@]23CC4CC5CC(C2)C3(C5)C4)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
PAX8 Q06710 1/20 0.46
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
NAMPT P43490 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
SCHEMBL8068354 0.92 PSEN1 (0.47) PAX8ALDH1A1TSHR
SCHEMBL8053617 0.91 RAB9A (0.44) RAB9ANAMPT
SCHEMBL8062528 0.91 RAB9A (0.50) RAB9APAX8
SCHEMBL8063759 0.90 HTR1A (0.42) RAB9A
SCHEMBL8062526 0.87 NPC1 (0.38) RAB9AALDH1A1
SCHEMBL4542837 0.86 RAB9A (0.53) RAB9APAX8NCOA1NCOA3
SCHEMBL8061501 0.84 HSD11B1 (0.49)
SCHEMBL8060003 0.81 RAB9A (0.41) RAB9APAX8ALDH1A1TSHR
SCHEMBL4535257 0.80 RAB9A (0.53) RAB9APAX8NCOA1NCOA3ALDH1A1
SCHEMBL8062873 0.79 HCRTR1 (0.42) ALDH1A1GAA

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