SCHEMBL4534759

SCHEMBL4534759

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

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NAMPT P43490 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
PAX8 Q06710 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
SCHEMBL4542465 0.97 RAB9A (0.48) RAB9ANPC1NAMPTL3MBTL1ALDH1A1
SCHEMBL4542841 0.90 RAB9A (0.55) RAB9AMAPTNAMPTALDH1A1TSHR
SCHEMBL4539999 0.90 PSEN1 (0.56) RAB9AMAPTNAMPTALDH1A1PAX8
SCHEMBL4535378 0.89 BRD4 (0.58) RAB9ANAMPTPAX8
SCHEMBL4537190 0.87 RAB9A (0.60) RAB9ANPC1PAX8
SCHEMBL4537322 0.87 PSEN1 (0.51) RAB9ALMNATSHRPAX8
SCHEMBL4542349 0.86 RAB9A (0.54) RAB9AL3MBTL1ALDH1A1PAX8
SCHEMBL4536845 0.85 RAB9A (0.52) RAB9ANPC1SMN1; SMN2MAPTTDP1
SCHEMBL4539344 0.82 BDKRB1 (0.48) RAB9AALDH1A1
SCHEMBL4542098 0.82 HTR1A (0.48) RAB9APAX8

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