SCHEMBL14036792

SCHEMBL14036792

CCc1cc(N/C(=N\C#N)Nc2ccc(-n3cnc(C)c3)c(F)c2)c(C)cc1C

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 16/20 0.53
PSEN2 P49810 16/20 0.53
APH1B Q8WW43 16/20 0.53
NCSTN Q92542 16/20 0.53
APH1A Q96BI3 16/20 0.53
PSENEN Q9NZ42 16/20 0.53
GPR142 Q7Z601 2/20 0.37
KCNH2 Q12809 1/20 0.37
USP30 Q70CQ3 1/20 0.37
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
NR2E1 Q9Y466 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
SCHEMBL14036794 0.75 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14036786 0.72 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14036791 0.70 USP30 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14036790 0.69 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16198584 0.69 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29409662 0.69 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4255987 0.68 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1617435 0.68 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14036787 0.67 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
Nitric Acid SCHEMBL1617470 0.64 PSEN1 (0.41) 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