SCHEMBL5405574

SCHEMBL5405574

NC(=O)C(CCCC(F)(F)F)C(N)=O

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
NOS2 P35228 2/20 0.31
PSEN1 P49768 2/20 0.31
PSEN2 P49810 2/20 0.31
APH1B Q8WW43 2/20 0.31
NCSTN Q92542 2/20 0.31
APH1A Q96BI3 2/20 0.31
PSENEN Q9NZ42 2/20 0.31
ALOX5 P09917 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 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
SCHEMBL4057289 0.90 NOS2 (0.32) NOS2PSEN1PSEN2APH1BNCSTN
SCHEMBL29640534 0.79 NOTCH1 (0.33) CA1CA2NOS2PSEN1PSEN2
SCHEMBL22660114 0.75 NOTCH1 (0.34) NOS2PSEN1PSEN2APH1BNCSTN
SCHEMBL6065531 0.74
SCHEMBL24108958 0.73 NOS2 (0.42) NOS2NOS3NOS1
SCHEMBL1876375 0.73 NOS2 (0.42) NOS2NOS3NOS1
SCHEMBL1642298 0.73 NOS2 (0.42) NOS2NOS3NOS1
SCHEMBL5399204 0.73 ODC1 (0.31)
SCHEMBL25958554 0.73 CA1 (0.42) CA1CA2NOS2
SCHEMBL9562376 0.73 CA2 (0.52) CA1CA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007505063-A 2007-03-08 JP claimed
EP-1711470-A1 MALONAMIDE DERIVATIVES BLOCKING THE ACTIVTIY OF GAMMA-SECRETASE F. HOFFMANN-LA ROCHE AG (CH) 2006-10-18 EP claimed
WO-2005023772-A1 MALONAMIDE DERIVATIVES BLOCKING THE ACTIVITY OF GAMA-SECRETASE F. HOFFMANN-LA ROCHE AG (CH) 2005-03-17 WO claimed