SCHEMBL4539999

SCHEMBL4539999

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

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.56
PSEN2 P49810 5/20 0.56
APH1B Q8WW43 5/20 0.56
NCSTN Q92542 5/20 0.56
APH1A Q96BI3 5/20 0.56
PSENEN Q9NZ42 5/20 0.56
PAX8 Q06710 2/20 0.50
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
HSD17B10 Q99714 1/20 0.48
BDKRB1 P46663 1/20 0.44
RAB9A P51151 1/20 0.44
NAMPT P43490 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
SCHEMBL4537322 0.97 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4534759 0.90 RAB9A (0.52) PAX8ALDH1A1MAPTRAB9ANAMPT
SCHEMBL4542841 0.90 RAB9A (0.55) PAX8ALDH1A1MAPTRAB9ANAMPT
SCHEMBL4539344 0.88 BDKRB1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4535378 0.87 BRD4 (0.58) PAX8RAB9ANAMPT
SCHEMBL4537190 0.87 RAB9A (0.60) PAX8RAB9A
SCHEMBL4542465 0.87 RAB9A (0.48) PAX8ALDH1A1RAB9ANAMPT
SCHEMBL4542349 0.86 RAB9A (0.54) PAX8ALDH1A1RAB9A
SCHEMBL4539656 0.86 POLB (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4535937 0.85 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A

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