Sugi Predict

Sugi Predict / Compounds / SCHEMBL3429002

SCHEMBL3429002

SCHEMBL3429002

COc1cc(Nc2cccc(Nc3ccc(OC(F)(F)F)cc3)n2)ccc1-n1cnc(C)c1.COc1cc(Nc2cccc(Nc3cccc(OC(F)(F)F)c3)n2)ccc1-n1cnc(C)c1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 19/20 0.65
▸ PSEN2 P49810 19/20 0.65
▸ APH1B Q8WW43 19/20 0.65
▸ NCSTN Q92542 19/20 0.65
▸ APH1A Q96BI3 19/20 0.65
▸ PSENEN Q9NZ42 19/20 0.65
▸ KCNH2 Q12809 2/20 0.51
▸ IGF1R P08069 1/20 0.51

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
SCHEMBL4090583 0.97 PSEN1 (0.68) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4097057 0.96 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4098638 0.90 PSEN1 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15162679 0.87 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4090962 0.87 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3408497 0.86 PSEN1 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3411172 0.86 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4097846 0.85 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4103007 0.85 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4097160 0.84 PSEN1 (0.67) 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-2257541-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-12-08 — — EP claimed
WO-2009103652-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 — — WO claimed