SCHEMBL12150628

SCHEMBL12150628

Cc1cn(-c2ccc(Nc3nc4c(s3)CCCC4c3ccc(O)cc3)cc2F)cn1

nearest known ligand 0.85

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 20/20 0.85
PSEN2 P49810 20/20 0.85
APH1B Q8WW43 20/20 0.85
NCSTN Q92542 20/20 0.85
APH1A Q96BI3 20/20 0.85
PSENEN Q9NZ42 20/20 0.85

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
SCHEMBL1617218 0.92 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8031573 0.89 PSEN1 (0.85) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1617496 0.88 PSEN1 (0.79) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1616129 0.87 PSEN1 (0.76) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1617321 0.85 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1616619 0.84 PSEN1 (0.79) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30957094 0.84 PSEN1 (0.85) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1616640 0.83 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8034475 0.83 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1615969 0.83 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
EP-2231629-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2011-11-30 EP disclosed