SCHEMBL13362163

SCHEMBL13362163

Cc1cn(-c2ccc(/C=C3\OCCN4C3=NCCN4c3ccc(F)cc3)c(C=N)c2S)cn1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 10/20 0.32
PSEN2 P49810 10/20 0.32
APH1B Q8WW43 10/20 0.32
NCSTN Q92542 10/20 0.32
APH1A Q96BI3 10/20 0.32
PSENEN Q9NZ42 10/20 0.32
KCNH2 Q12809 1/20 0.31

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
SCHEMBL13362452 0.85 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8737157 0.85 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8737174 0.84 PSEN1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8737189 0.83 PSEN1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8737280 0.82 PSEN1 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8737296 0.81 PSEN1 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8737293 0.81 PSEN1 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8737275 0.78 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13362377 0.76 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8737691 0.74

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-2010054067-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2010-05-14 WO disclosed