SCHEMBL4539052

SCHEMBL4539052

Nc1ccc(S(=O)(=O)N2CCCCC2CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
RAB9A P51151 2/20 0.42
PAX8 Q06710 1/20 0.42

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
SCHEMBL4536842 0.90 RAB9A (0.50) ALDH1A1TP53TSHRRAB9A
SCHEMBL4535933 0.90 PSEN1 (0.56) ALDH1A1TSHRPSEN1PSEN2APH1B
SCHEMBL4535257 0.90 RAB9A (0.53) ALDH1A1TP53TSHRPSEN1PSEN2
SCHEMBL4537565 0.90 RAB9A (0.51) ALDH1A1RAB9A
SCHEMBL8062041 0.88 RAB9A (0.47) ALDH1A1RAB9A
SCHEMBL8069510 0.87 BRD4 (0.53) ALDH1A1
SCHEMBL4541154 0.87 RAB9A (0.56) RAB9APAX8
SCHEMBL4538787 0.87 PSEN1 (0.51) TSHRPSEN1PSEN2APH1BNCSTN
SCHEMBL4535339 0.87 ATM (0.47) RAB9APAX8
SCHEMBL4542333 0.87 PSEN1 (0.51) TSHRPSEN1PSEN2APH1BNCSTN

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 claimed