SCHEMBL6853560

SCHEMBL6853560

COc1cc(C(=O)NCc2c(Cl)cccc2Oc2ccccc2)ccc1-n1cnc(C)c1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 10/20 0.66
PSEN2 P49810 10/20 0.66
APH1B Q8WW43 10/20 0.66
NCSTN Q92542 10/20 0.66
APH1A Q96BI3 10/20 0.66
PSENEN Q9NZ42 10/20 0.66
LMNA P02545 2/20 0.56
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
GPR142 Q7Z601 1/20 0.47
ROCK2 O75116 2/20 0.45
ROCK1 Q13464 2/20 0.45
LDLR P01130 2/20 0.44
PCSK9 Q8NBP7 2/20 0.44
KIT P10721 1/20 0.44
GAA P10253 1/20 0.44
PDGFRB P09619 1/20 0.43
KCNH2 Q12809 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
SCHEMBL759035 0.85 PSEN1 (0.80) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6854645 0.82 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL759068 0.81 PSEN1 (0.68) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853565 0.81 PSEN1 (0.80) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL757740 0.81 PSEN1 (0.78) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853591 0.80 PSEN1 (0.69) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853844 0.80 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL758946 0.80 PSEN1 (0.74) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL759811 0.79 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL759778 0.79 PSEN1 (0.77) 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