SCHEMBL8068063

SCHEMBL8068063

C=CN(/C=C(/C)N)c1ccc(/C=c2\[nH]c3n(c2=O)C(C)(c2ccc(F)cc2)CCN=3)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.41
PSEN2 P49810 5/20 0.41
APH1B Q8WW43 5/20 0.41
NCSTN Q92542 5/20 0.41
APH1A Q96BI3 5/20 0.41
PSENEN Q9NZ42 5/20 0.41
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
PDE4B Q07343 1/20 0.31
DYRK1A Q13627 2/20 0.30

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
SCHEMBL8054583 0.92 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8067631 0.77 MEN1 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8070802 0.77 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8161438 0.77 IKBKB (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8156435 0.76 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8167709 0.72 IKBKB (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8162744 0.71 NFE2L2 (0.32)
SCHEMBL8055192 0.69 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8161449 0.69 NFE2L2 (0.33)
SCHEMBL8162255 0.69 NFE2L2 (0.33) MEN1ALDH1A1MAPTHPGDKMT2A

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-2009020580-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2009-02-12 WO disclosed