SCHEMBL4537480

SCHEMBL4537480

Cc1ccc(S(=O)(=O)N2CCCC2CCNC(=O)[C]2CCCCCCC2)cc1.[CH2].[CH2]

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.54
NCOA3 Q9Y6Q9 1/20 0.54
RAB9A P51151 4/20 0.49
PAX8 Q06710 2/20 0.49
FKBP1A P62942 1/20 0.48
NPC1 O15118 2/20 0.47
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL4537553 0.90 PAX8 (0.58) RAB9APAX8NPC1
SCHEMBL4537513 0.90 RAB9A (0.58) NCOA1NCOA3RAB9APAX8NPC1
SCHEMBL4541156 0.89 RAB9A (0.58) RAB9APAX8
SCHEMBL4535468 0.88 HTR7 (0.59) NCOA1NCOA3RAB9ANPC1
SCHEMBL4536839 0.87 BRD4 (0.56) NCOA1NCOA3RAB9APAX8NPC1
SCHEMBL4535259 0.86 RAB9A (0.55) NCOA1NCOA3RAB9APAX8GAA
SCHEMBL4542142 0.82 HTR7 (0.46) RAB9APAX8NPC1
SCHEMBL4537477 0.82 NCOA1 (0.53) NCOA1NCOA3RAB9APAX8FKBP1A
SCHEMBL4539523 0.81 ALDH1A1 (0.50) GAAL3MBTL1
SCHEMBL4531594 0.80 TDP1 (0.42) RAB9APAX8NPC1

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