SCHEMBL4537553

SCHEMBL4537553

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

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.58
PSEN1 P49768 3/20 0.55
PSEN2 P49810 3/20 0.55
APH1B Q8WW43 3/20 0.55
NCSTN Q92542 3/20 0.55
APH1A Q96BI3 3/20 0.55
PSENEN Q9NZ42 3/20 0.55
APP P05067 3/20 0.47
RAB9A P51151 1/20 0.46
HTR7 P34969 3/20 0.46
POLB P06746 1/20 0.46
ADRA1B P35368 1/20 0.45
NPC1 O15118 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
SCHEMBL4537513 0.90 RAB9A (0.58) PAX8RAB9AHTR7NPC1
SCHEMBL4537480 0.90 NCOA1 (0.54) PAX8RAB9ANPC1
SCHEMBL4542334 0.89 PSEN1 (0.53) PAX8PSEN1PSEN2APH1BNCSTN
SCHEMBL4538792 0.89 PSEN1 (0.53) PAX8PSEN1PSEN2APH1BNCSTN
SCHEMBL4542142 0.88 HTR7 (0.46) PAX8RAB9AHTR7NPC1
SCHEMBL4536839 0.87 BRD4 (0.56) PAX8RAB9AHTR7NPC1
SCHEMBL4535937 0.86 PSEN1 (0.58) PAX8PSEN1PSEN2APH1BNCSTN
SCHEMBL4531594 0.84 TDP1 (0.42) PAX8RAB9AHTR7ADRA1BNPC1
SCHEMBL4535468 0.82 HTR7 (0.59) RAB9AHTR7NPC1
SCHEMBL4537550 0.82 PAX8 (0.56) PAX8PSEN1PSEN2APH1BNCSTN

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