SCHEMBL5686148

SCHEMBL5686148

NC(=O)CC1CCCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.60
BRD2 P25440 4/20 0.60
BRD3 Q15059 3/20 0.54
BRDT Q58F21 3/20 0.54
HSD11B1 P28845 1/20 0.49
PSEN1 P49768 2/20 0.48
PSEN2 P49810 2/20 0.48
APH1B Q8WW43 2/20 0.48
NCSTN Q92542 2/20 0.48
APH1A Q96BI3 2/20 0.48
PSENEN Q9NZ42 2/20 0.48
EPHX2 P34913 1/20 0.47
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
HCRTR1 O43613 1/20 0.45
HCRTR2 O43614 1/20 0.45
BDKRB1 P46663 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL5686141 1.00 BRD4 (0.60) BRD4BRD2BRD3BRDTHSD11B1
SCHEMBL5717368 0.83 BRD4 (0.56) BRD4BRD2BRD3BRDTHSD11B1
SCHEMBL5717132 0.83 PSEN1 (0.70) BRD4BRD2BRD3BRDTHSD11B1
SCHEMBL8051860 0.80 RAB9A (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8069484 0.80 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5129006 0.80 BRD4 (0.56) BRD4BRD2BRD3BRDTHSD11B1
SCHEMBL4539776 0.79 BRD4 (0.53) BRD4BRD2BRD3BRDTBDKRB1
SCHEMBL5716989 0.79 ALDH1A1 (0.66) BRD4BRD2BRD3BRDTHSD11B1
SCHEMBL5716988 0.79 ALDH1A1 (0.66) BRD4BRD2BRD3BRDTHSD11B1
SCHEMBL5717022 0.79 ALDH1A1 (0.66) BRD4BRD2BRD3BRDTHSD11B1

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 3 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 disclosed
EP-1633743-A1 CYCLIC AMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATION-RELATED DISORDERS MEDIATED BY BRADYKININ Amgen, Inc. (US) 2006-03-15 EP disclosed
WO-2004092164-A1 CYCLIC AMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATION-RELATED DISORDERS MEDIATED BY BRADYKININ AMGEN, INC. (US) 2004-10-28 WO disclosed