SCHEMBL4425870

SCHEMBL4425870

CN1C(=O)C(CNC(=O)CC(=O)NCC(F)(F)C(F)(F)F)N[C@@H](S(C)(=O)=O)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 6/20 0.44
PSEN2 P49810 6/20 0.44
APH1B Q8WW43 6/20 0.44
NCSTN Q92542 6/20 0.44
APH1A Q96BI3 6/20 0.44
PSENEN Q9NZ42 6/20 0.44
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
HSD17B1 P14061 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
HDAC4 P56524 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30

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
SCHEMBL4425872 0.78 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4436253 0.76 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4434403 0.71 PSEN1 (0.74) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4428255 0.71 PSEN1 (0.74) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4435886 0.70 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4423353 0.69 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4434121 0.69 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4428261 0.69 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4430201 0.68 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4427742 0.68 PSEN1 (0.34) 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