SCHEMBL2479422

SCHEMBL2479422

COc1cc(Nc2nc3c(c(Nc4ccccc4)n2)CN(CCO)CC3)ccc1-n1cnc(C)c1.COc1cc(Nc2nc3c(c(Nc4ccccc4)n2)CNCC3)ccc1-n1cnc(C)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 19/20 0.47
PSEN2 P49810 19/20 0.47
APH1B Q8WW43 19/20 0.47
NCSTN Q92542 19/20 0.47
APH1A Q96BI3 19/20 0.47
PSENEN Q9NZ42 19/20 0.47
KCNH2 Q12809 2/20 0.42
UGT1A1 P22309 1/20 0.41
SLCO1B1 Q9Y6L6 1/20 0.41

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
SCHEMBL2479398 0.94 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2479520 0.89 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2472498 0.83 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2480237 0.79 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1617965 0.77 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3246148 0.76 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2453449 0.74 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2481166 0.73 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2478673 0.73 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2482343 0.73 PSEN1 (0.59) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2367826-A1 MODULATORS OF AMYLOID BETA. AstraZeneca AB (SE) 2011-09-28 EP disclosed
WO-2010053438-A1 MODULATORS OF AMYLOID BETA. ASTRAZENECA AB (SE) 2010-05-14 WO disclosed