SCHEMBL14036697

SCHEMBL14036697

COc1cc(NC(=O)NCc2cc(C)c(OC)c(C)c2)ccc1-n1cnc(C)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 13/20 0.57
PSEN2 P49810 13/20 0.57
APH1B Q8WW43 13/20 0.57
NCSTN Q92542 13/20 0.57
APH1A Q96BI3 13/20 0.57
PSENEN Q9NZ42 13/20 0.57
QPCT Q16769 4/20 0.50
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
NAMPT P43490 1/20 0.43

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
SCHEMBL14036806 0.90 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13397863 0.88 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3312331 0.85 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
Trifluoroacetic Acid SCHEMBL3319212 0.83 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9264269 0.82 QPCT (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4456548 0.80 PSEN1 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13398046 0.79 QPCT (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13398101 0.79 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3314932 0.78 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3310778 0.77 PSEN1 (0.58) 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