SCHEMBL14036683

SCHEMBL14036683

COc1ccc(CN(C(=O)Nc2ccc(-n3cnc(C)c3)c(OC)c2)C2CC2)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 13/20 0.50
PSEN2 P49810 13/20 0.50
APH1B Q8WW43 13/20 0.50
NCSTN Q92542 13/20 0.50
APH1A Q96BI3 13/20 0.50
PSENEN Q9NZ42 13/20 0.50
KCNH2 Q12809 2/20 0.45
TP53 P04637 3/20 0.43
POLB P06746 2/20 0.43
ROCK2 O75116 1/20 0.42
USP2 O75604 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
GPR142 Q7Z601 1/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL14036695 0.84 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14036807 0.78 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14036808 0.74 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2359211 0.74 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4456548 0.74 PSEN1 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14036574 0.73 TP53 (0.44) TP53POLBROCK2USP2ALDH1A1
SCHEMBL14036560 0.73 TP53 (0.41) TP53POLBROCK2USP2ALDH1A1
SCHEMBL14036775 0.72 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14036573 0.72 TP53 (0.41) TP53POLBUSP2ALDH1A1MAPT
SCHEMBL14036793 0.72 UBE2M (0.35) 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