SCHEMBL6853569

SCHEMBL6853569

COc1cc(C(=O)NCc2ccc(C(C)(C)C)cc2)ccc1-n1cnc(C)c1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 7/20 0.71
PSEN2 P49810 7/20 0.71
APH1B Q8WW43 7/20 0.71
NCSTN Q92542 7/20 0.71
APH1A Q96BI3 7/20 0.71
PSENEN Q9NZ42 7/20 0.71
KCNH2 Q12809 1/20 0.54
EPHX2 P34913 8/20 0.54
NR1H4 Q96RI1 7/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HDAC3 O15379 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL6852715 0.88 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6854886 0.88 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL759778 0.86 PSEN1 (0.77) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL758284 0.86 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6854213 0.86 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6854342 0.85 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL759811 0.85 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853529 0.84 PSEN1 (0.75) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL759619 0.83 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853565 0.83 PSEN1 (0.80) 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-2011059048-A1 NOVEL AMIDE DERIVATIVE 大日本住友製薬株式会社 (JP) 2011-05-19 WO disclosed