SCHEMBL4542909

SCHEMBL4542909

O=C(NCC1CCCCN1S(=O)(=O)c1cc(Cl)ccc1F)[C]1CCCCCCC1.[CH2].[CH2]

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.47
MAPT P10636 3/20 0.47
POLB P06746 1/20 0.41
PSEN1 P49768 2/20 0.40
PSEN2 P49810 2/20 0.40
APH1B Q8WW43 2/20 0.40
NCSTN Q92542 2/20 0.40
APH1A Q96BI3 2/20 0.40
PSENEN Q9NZ42 2/20 0.40
RAB9A P51151 1/20 0.39
HTR7 P34969 1/20 0.39
PAX8 Q06710 1/20 0.38

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
SCHEMBL4534376 0.90 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4537228 0.89 POLB (0.41) POLBPSEN1PSEN2APH1BNCSTN
SCHEMBL4542327 0.87 DRD2 (0.50) POLBRAB9A
SCHEMBL4530295 0.86 POLB (0.44) POLBRAB9A
SCHEMBL4542597 0.86 MAPT (0.45) MAPTPSEN1PSEN2APH1BNCSTN
SCHEMBL4535937 0.85 PSEN1 (0.58) MAPTPSEN1PSEN2APH1BNCSTN
SCHEMBL4538143 0.83 RAB9A (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4531367 0.83 RAB9A (0.43) TP53RAB9A
SCHEMBL4542906 0.83 TP53 (0.43) TP53MAPTPOLBPSEN1PSEN2
SCHEMBL4541044 0.83 CNR1 (0.45) 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 1 patent. 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