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Sugi Predict / Compounds / SCHEMBL8081091

SCHEMBL8081091

SCHEMBL8081091

CCCC(c1cc(F)ccc1C)n1cc(Cl)cc(C(=O)c2ccc(-n3cnc(C)c3)c(OC)c2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 19/20 0.47
▸ PSEN2 P49810 19/20 0.47
▸ APH1B Q8WW43 19/20 0.47
▸ NCSTN Q92542 19/20 0.47
▸ APH1A Q96BI3 19/20 0.47
▸ PSENEN Q9NZ42 19/20 0.47
▸ F11 P03951 1/20 0.40
▸ KLKB1 P03952 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
SCHEMBL8080412 0.87 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12738825 0.86 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8080409 0.83 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12946509 0.81 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12913830 0.81 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8083054 0.80 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8079090 0.79 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12913780 0.79 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15214166 0.79 F11 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12712848 0.79 PSEN1 (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-2009032277-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2009-03-12 — — WO disclosed