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SCHEMBL4425872

SCHEMBL4425872

C[C@@H](C(=O)NCC(F)(F)C(F)(F)F)C(=O)NC1NC(S(C)(=O)=O)c2ccccc2N(C)C1=O

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 19/20 0.61
▸ PSEN2 P49810 19/20 0.61
▸ APH1B Q8WW43 19/20 0.61
▸ NCSTN Q92542 19/20 0.61
▸ APH1A Q96BI3 19/20 0.61
▸ PSENEN Q9NZ42 19/20 0.61
▸ HSD17B1 P14061 1/20 0.33

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
SCHEMBL4425870 0.78 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4436256 0.77 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18814916 0.76 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5544143 0.76 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4425986 0.74 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4436003 0.73 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4425558 0.73 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4435890 0.72 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4423329 0.72 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1561580 0.72 PSEN1 (0.61) 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
EP-1711470-B1 MALONAMIDE DERIVATIVES BLOCKING THE ACTIVTIY OF GAMMA-SECRETASE HOFFMANN LA ROCHE (CH) 2009-04-15 — — EP disclosed