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Sugi Predict / Compounds / SCHEMBL8162255

SCHEMBL8162255

SCHEMBL8162255

C=CN(/C=C(/C)N)c1ccc(/C=C/C2=NCC3(c4ccc(F)cc4)CCOC(=O)N23)cc1OC

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 1/20 0.33
▸ IKBKB O14920 1/20 0.32
▸ CHUK O15111 1/20 0.32
▸ IKBKG Q9Y6K9 1/20 0.32
▸ 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

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
SCHEMBL8161449 0.87 NFE2L2 (0.33) NFE2L2IKBKBCHUKIKBKG
SCHEMBL8161064 0.87 NFE2L2 (0.33) NFE2L2IKBKBCHUKIKBKG
SCHEMBL8159967 0.86 NFE2L2 (0.32) NFE2L2IKBKBCHUKIKBKG
SCHEMBL8155270 0.85 NFE2L2 (0.33) NFE2L2IKBKBCHUKIKBKG
SCHEMBL8162744 0.81 NFE2L2 (0.32) NFE2L2IKBKBCHUKIKBKG
SCHEMBL8167709 0.80 IKBKB (0.36) NFE2L2IKBKBCHUKIKBKGMEN1
SCHEMBL8161438 0.77 IKBKB (0.35) NFE2L2IKBKBCHUKIKBKG
SCHEMBL8152889 0.77 NFE2L2 (0.33) NFE2L2IKBKBCHUKIKBKGALDH1A1
SCHEMBL8160944 0.75 NFE2L2 (0.33) NFE2L2IKBKBCHUKIKBKGALDH1A1
SCHEMBL8167694 0.74 NFE2L2 (0.33) NFE2L2IKBKBCHUKIKBKGALDH1A1

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