Sugi Predict

Sugi Predict / Compounds / SCHEMBL3406299

SCHEMBL3406299

SCHEMBL3406299

COc1cc(Nc2nc(-c3ccc(C(F)(F)F)cc3)cc(C(C)(O)CCC(C)(O)c3cc(Cc4ccc(Cl)cc4)nc(Nc4ccc(-n5cnc(C)c5)c(OC)c4)n3)n2)ccc1-c1nc(C)c[nH]1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 20/20 0.44
▸ PSEN2 P49810 20/20 0.44
▸ APH1B Q8WW43 20/20 0.44
▸ NCSTN Q92542 20/20 0.44
▸ APH1A Q96BI3 20/20 0.44
▸ PSENEN Q9NZ42 20/20 0.44
▸ KCNH2 Q12809 3/20 0.39

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
SCHEMBL3412269 0.85 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4092438 0.80 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3411250 0.79 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3412354 0.79 PTGS2 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3406451 0.79 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3410432 0.78 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3413207 0.78 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3409722 0.77 PIK3CA (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4097693 0.77 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3407100 0.77 MAPT (0.48) —

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