SCHEMBL8160944

SCHEMBL8160944

C=CN(/C=C(/C)N)c1ccc(/C=C/C2=NC(=O)C3(c4ccc(F)cc4)CCCCN23)cc1OC

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.33
ALDH1A1 P00352 3/20 0.32
IKBKB O14920 1/20 0.32
CHUK O15111 1/20 0.32
IKBKG Q9Y6K9 1/20 0.32
PSEN1 P49768 2/20 0.32
PSEN2 P49810 2/20 0.32
APH1B Q8WW43 2/20 0.32
NCSTN Q92542 2/20 0.32
APH1A Q96BI3 2/20 0.32
PSENEN Q9NZ42 2/20 0.32
MAPK1 P28482 2/20 0.31
KDM4E B2RXH2 2/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
ACHE P22303 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
SCHEMBL8167694 0.89 NFE2L2 (0.33) NFE2L2ALDH1A1IKBKBCHUKIKBKG
SCHEMBL8154475 0.86 NFE2L2 (0.32) NFE2L2ALDH1A1IKBKBCHUKIKBKG
SCHEMBL8160467 0.84 ACKR3 (0.32) NFE2L2ALDH1A1MAPK1GAA
SCHEMBL8161064 0.77 NFE2L2 (0.33) NFE2L2IKBKBCHUKIKBKG
SCHEMBL8161438 0.76 IKBKB (0.35) NFE2L2IKBKBCHUKIKBKGPSEN1
SCHEMBL8161449 0.76 NFE2L2 (0.33) NFE2L2IKBKBCHUKIKBKG
SCHEMBL8167709 0.76 IKBKB (0.36) NFE2L2IKBKBCHUKIKBKGPSEN1
SCHEMBL8150282 0.75 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8162255 0.75 NFE2L2 (0.33) NFE2L2ALDH1A1IKBKBCHUKIKBKG
SCHEMBL8159967 0.75 NFE2L2 (0.32) NFE2L2IKBKBCHUKIKBKG

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