SCHEMBL14036787

SCHEMBL14036787

COc1cc(C)c(CN(/C(=N\C#N)Nc2ccc(-n3cnc(C)c3)c(F)c2)C2CC2)cc1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 18/20 0.39
PSEN2 P49810 18/20 0.39
APH1B Q8WW43 18/20 0.39
NCSTN Q92542 18/20 0.39
APH1A Q96BI3 18/20 0.39
PSENEN Q9NZ42 18/20 0.39
USP30 Q70CQ3 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
SCHEMBL14036790 0.89 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14036791 0.85 USP30 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14036794 0.82 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14036808 0.82 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14036693 0.73 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14036807 0.72 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL757334 0.72 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14036573 0.69 TP53 (0.41)
SCHEMBL14036793 0.69 UBE2M (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14036683 0.67 PSEN1 (0.50) 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-2008137102-A2 METHODS OF MODULATING AMYLOID BETA AND COMPOUNDS USEFUL THEREFOR TORREYPINES THERAPEUTICS, INC. (US) 2008-11-13 WO disclosed