SCHEMBL4535378

SCHEMBL4535378

O=C(NCC1CCCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1)N[C]1CCCCCCC1.[CH2].[CH2]

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.58
BRD2 P25440 4/20 0.58
BRD3 Q15059 3/20 0.53
BRDT Q58F21 3/20 0.53
EPHX2 P34913 1/20 0.44
TRPV4 Q9HBA0 1/20 0.43
RAB9A P51151 2/20 0.42
PAX8 Q06710 1/20 0.42
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
NAMPT P43490 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
SCHEMBL4534759 0.89 RAB9A (0.52) RAB9APAX8NAMPT
SCHEMBL4539999 0.87 PSEN1 (0.56) RAB9APAX8NAMPT
SCHEMBL4542841 0.87 RAB9A (0.55) RAB9APAX8NAMPT
SCHEMBL4542465 0.86 RAB9A (0.48) BRD4BRD2RAB9APAX8NAMPT
SCHEMBL4537190 0.85 RAB9A (0.60) RAB9APAX8HCRTR1HCRTR2
SCHEMBL4537322 0.84 PSEN1 (0.51) RAB9APAX8HCRTR1HCRTR2
SCHEMBL4542349 0.84 RAB9A (0.54) RAB9APAX8
SCHEMBL4537395 0.82 USP30 (0.50) BRD4BRD2EPHX2TRPV4RAB9A
SCHEMBL4539344 0.80 BDKRB1 (0.48) EPHX2RAB9AHCRTR1HCRTR2
SCHEMBL4541300 0.80 USP30 (0.48) BRD4BRD2EPHX2TRPV4NAMPT

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