Sugi Predict

Sugi Predict / Compounds / SCHEMBL2478232

SCHEMBL2478232

SCHEMBL2478232

COc1cc(Nc2nc(CCC3CCCO3)c3c(n2)CCN(C)C3)ccc1-n1cnc(C)c1.COc1cc(Nc2nc3c(c(COC(CF)CF)n2)COCC3)ccc1-n1cnc(C)c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 20/20 0.42
▸ PSEN2 P49810 20/20 0.42
▸ APH1B Q8WW43 20/20 0.42
▸ NCSTN Q92542 20/20 0.42
▸ APH1A Q96BI3 20/20 0.42
▸ PSENEN Q9NZ42 20/20 0.42

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
SCHEMBL2447386 0.90 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2447291 0.87 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2479163 0.87 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2841754 0.81 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2452527 0.81 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3257526 0.80 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2451904 0.79 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2452378 0.78 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2481655 0.77 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30132828 0.77 PSEN1 (0.51) 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