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Sugi Predict / Compounds / SCHEMBL15959083

SCHEMBL15959083

SCHEMBL15959083

COc1cc(Nc2nc(C3=CC=C(F)CC3)n(C)n2)ccc1-n1cnc(C)c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 20/20 0.52
▸ PSEN2 P49810 20/20 0.52
▸ APH1B Q8WW43 20/20 0.52
▸ NCSTN Q92542 20/20 0.52
▸ APH1A Q96BI3 20/20 0.52
▸ PSENEN Q9NZ42 20/20 0.52
▸ KCNH2 Q12809 1/20 0.47

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
SCHEMBL6913979 0.83 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13835188 0.77 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL954902 0.76 PSEN1 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4091986 0.76 PSEN1 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4103642 0.75 PSEN1 (0.66) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4096914 0.75 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12945409 0.75 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17695464 0.74 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17685586 0.74 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1967006 0.74 PSEN1 (0.64) 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
EP-2523949-B1 NOVEL SUBSTITUTED TRIAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICALS INC (US) 2014-08-20 — — EP disclosed