SCHEMBL14036808

SCHEMBL14036808

COc1cc(C)c(CN(C(=O)Nc2ccc(-n3cnc(C)c3)c(F)c2)C2CN(C)C2)cc1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 10/20 0.42
PSEN2 P49810 10/20 0.42
APH1B Q8WW43 10/20 0.42
NCSTN Q92542 10/20 0.42
APH1A Q96BI3 10/20 0.42
PSENEN Q9NZ42 10/20 0.42
UBE2M P61081 6/20 0.41
DCUN1D1 Q96GG9 6/20 0.41
USP30 Q70CQ3 1/20 0.38
TP53 P04637 2/20 0.37
MAPT P10636 1/20 0.36
KCNH2 Q12809 1/20 0.35

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
SCHEMBL14036787 0.82 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14036693 0.81 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14036807 0.78 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14036790 0.77 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14036573 0.75 TP53 (0.41) UBE2MDCUN1D1TP53MAPT
SCHEMBL14036793 0.75 UBE2M (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14036794 0.74 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14036683 0.74 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14036635 0.73 TP53 (0.39) UBE2MDCUN1D1TP53MAPT
SCHEMBL14036554 0.72 USP30 (0.44) UBE2MDCUN1D1USP30TP53MAPT

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