SCHEMBL4537513

SCHEMBL4537513

O=C(NCCC1CCCN1S(=O)(=O)c1ccc(F)cc1)[C]1CCCCCCC1.[CH2].[CH2]

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.58
NPC1 O15118 1/20 0.55
HTR7 P34969 2/20 0.53
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ATM Q13315 1/20 0.47
PAX8 Q06710 1/20 0.46
LMNA P02545 1/20 0.46
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
TRPA1 O75762 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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) RAB9ANPC1HTR7PAX8
SCHEMBL4537480 0.90 NCOA1 (0.54) RAB9ANPC1PAX8NCOA1NCOA3
SCHEMBL4535343 0.89 HTR7 (0.50) RAB9AHTR7ATMLMNATRPA1
SCHEMBL4536839 0.89 BRD4 (0.56) RAB9ANPC1HTR7PAX8NCOA1
SCHEMBL4536845 0.86 RAB9A (0.52) RAB9ANPC1HTR7MAPTTDP1
SCHEMBL4535468 0.82 HTR7 (0.59) RAB9ANPC1HTR7NCOA1NCOA3
SCHEMBL4542142 0.82 HTR7 (0.46) RAB9ANPC1HTR7PAX8SMN1; SMN2
SCHEMBL4537510 0.82 RAB9A (0.56) RAB9ANPC1HTR7MAPTTDP1
SCHEMBL4534659 0.81 CYP3A4 (0.53) MAPTSMN1; SMN2
SCHEMBL4531594 0.80 TDP1 (0.42) RAB9ANPC1HTR7TDP1PAX8

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