SCHEMBL8152889

SCHEMBL8152889

C=CN(/C=C(/C)N)c1ccc(/C=C/C2=NOCC3(c4ccc(F)cc4)COCCN23)cc1OC

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
PSEN1 P49768 4/20 0.32
PSEN2 P49810 4/20 0.32
APH1B Q8WW43 4/20 0.32
NCSTN Q92542 4/20 0.32
APH1A Q96BI3 4/20 0.32
PSENEN Q9NZ42 4/20 0.32
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
IKBKB O14920 1/20 0.30
CHUK O15111 1/20 0.30
IKBKG Q9Y6K9 1/20 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
SCHEMBL8161090 0.89 PSEN1 (0.32) NFE2L2KDM4EMAPK1PSEN1PSEN2
SCHEMBL8172039 0.80 NFE2L2 (0.33) NFE2L2
SCHEMBL8155270 0.80 NFE2L2 (0.33) NFE2L2IKBKBCHUKIKBKG
SCHEMBL8162744 0.79 NFE2L2 (0.32) NFE2L2IKBKBCHUKIKBKG
SCHEMBL8162255 0.77 NFE2L2 (0.33) NFE2L2MAPTKMT2AALDH1A1IKBKB
SCHEMBL8150277 0.75 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8161064 0.75 NFE2L2 (0.33) NFE2L2IKBKBCHUKIKBKG
SCHEMBL8161449 0.74 NFE2L2 (0.33) NFE2L2IKBKBCHUKIKBKG
SCHEMBL8167694 0.74 NFE2L2 (0.33) NFE2L2KDM4EMAPK1ALDH1A1IKBKB
SCHEMBL8160944 0.74 NFE2L2 (0.33) NFE2L2KDM4EMAPK1PSEN1PSEN2

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-2008153793-A2 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2008-12-18 WO disclosed