SCHEMBL8052371

SCHEMBL8052371

C=CN(/C=C(/C)N)c1ccc(/C=C2\CNC3=NCCC(c4ccc(F)cc4)N3C2=O)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 14/20 0.41
PSEN2 P49810 14/20 0.41
APH1B Q8WW43 14/20 0.41
NCSTN Q92542 14/20 0.41
APH1A Q96BI3 14/20 0.41
PSENEN Q9NZ42 14/20 0.41
PDE4B Q07343 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
KCNH2 Q12809 1/20 0.31
P2RX7 Q99572 2/20 0.31
DYRK1A Q13627 2/20 0.31

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
SCHEMBL12920903 0.78 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8167848 0.77 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8172055 0.73 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8160566 0.71 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8034014 0.71 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8162808 0.69 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8150340 0.69 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8156831 0.68 IKBKB (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8044436 0.68 PSEN1 (0.30) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8068063 0.68 PSEN1 (0.41) 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-2009020580-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2009-02-12 WO disclosed