SCHEMBL6853565

SCHEMBL6853565

COc1cccc(CNC(=O)c2ccc(-n3cnc(C)c3)c(OC)c2)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.80
PSEN2 P49810 5/20 0.80
APH1B Q8WW43 5/20 0.80
NCSTN Q92542 5/20 0.80
APH1A Q96BI3 5/20 0.80
PSENEN Q9NZ42 5/20 0.80
ROCK2 O75116 5/20 0.58
ROCK1 Q13464 5/20 0.58
MMP13 P45452 3/20 0.57
PRKACA P17612 2/20 0.53
PRKX P51817 2/20 0.53
PRKCQ Q04759 2/20 0.53
LMNA P02545 1/20 0.53
HPGD P15428 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
GSK3A P49840 1/20 0.53
GSK3B P49841 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53

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
SCHEMBL759035 0.93 PSEN1 (0.80) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL760500 0.91 PSEN1 (0.78) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL757740 0.90 PSEN1 (0.78) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6855210 0.90 PSEN1 (0.78) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853844 0.89 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL757078 0.88 PSEN1 (0.82) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853529 0.88 PSEN1 (0.75) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6854643 0.87 PSEN1 (0.75) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL759619 0.87 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL759811 0.85 PSEN1 (0.71) 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