SCHEMBL15214141

SCHEMBL15214141

Cc1ccc(C(C)n2cccc(C(=O)c3ccc(-n4cnc(C)c4)c(C)c3)c2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 12/20 0.47
PSEN2 P49810 12/20 0.47
APH1B Q8WW43 12/20 0.47
NCSTN Q92542 12/20 0.47
APH1A Q96BI3 12/20 0.47
PSENEN Q9NZ42 12/20 0.47
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
PDPK1 O15530 1/20 0.35
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
BRD4 O60885 2/20 0.34
HPD P32754 1/20 0.33

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
SCHEMBL12712752 0.93 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15214146 0.90 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15214143 0.88 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15214151 0.85 ALDH1A1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15214173 0.83 BRD4 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12712769 0.83 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8041952 0.83 PSEN1 (0.68) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15214154 0.82 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12712754 0.81 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12712756 0.81 PSEN1 (0.53) 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
US-8518975-B2 Gamma secretase modulators Merck Sharp + Dohme Corp. (US) 2013-08-27 US disclosed