Sugi Predict

Sugi Predict / Compounds / SCHEMBL8050375

SCHEMBL8050375

SCHEMBL8050375

COc1cc(-c2cc(C)c(N[C@@H](C)c3ccc(F)cc3)nn2)ccc1-n1cnc(C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 20/20 1.00
▸ PSEN2 P49810 20/20 1.00
▸ APH1B Q8WW43 20/20 1.00
▸ NCSTN Q92542 20/20 1.00
▸ APH1A Q96BI3 20/20 1.00
▸ PSENEN Q9NZ42 20/20 1.00

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
SCHEMBL3971986 0.90 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL3974411 0.89 PSEN1 (0.98) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8054767 0.89 PSEN1 (0.80) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3972467 0.88 PSEN1 (0.79) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3971089 0.88 PSEN1 (0.78) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL3974850 0.87 PSEN1 (0.77) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8050745 0.86 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8041939 0.86 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8051784 0.86 PSEN1 (0.75) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8040228 0.86 PSEN1 (0.75) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009050227-A1 PYRIDAZINE DERIVATIVES FOR INHIBITING BETA AMYLOID PEPTIDE PRODUCTION GLAXO GROUP LIMITED (GB) 2009-04-23 — — WO disclosed