Sugi Predict

Sugi Predict / Compounds / SCHEMBL8167694

SCHEMBL8167694

SCHEMBL8167694

C=CN(/C=C(/C)N)c1ccc(/C=C/C2=NC(=O)C3(c4ccc(F)cc4)CN(C)CCN23)cc1OC

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ IKBKB O14920 1/20 0.32
▸ CHUK O15111 1/20 0.32
▸ IKBKG Q9Y6K9 1/20 0.32
▸ MAPK1 P28482 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ ACHE P22303 1/20 0.30
▸ KDM4E B2RXH2 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
SCHEMBL8160944 0.89 NFE2L2 (0.33) NFE2L2IKBKBCHUKIKBKGMAPK1
SCHEMBL8154475 0.81 NFE2L2 (0.32) NFE2L2IKBKBCHUKIKBKGMAPK1
SCHEMBL8160467 0.80 ACKR3 (0.32) NFE2L2MAPK1ALDH1A1GAA
SCHEMBL8161064 0.77 NFE2L2 (0.33) NFE2L2IKBKBCHUKIKBKG
SCHEMBL8167709 0.76 IKBKB (0.36) NFE2L2IKBKBCHUKIKBKGMAPK1
SCHEMBL8161438 0.74 IKBKB (0.35) NFE2L2IKBKBCHUKIKBKGACHE
SCHEMBL8161449 0.74 NFE2L2 (0.33) NFE2L2IKBKBCHUKIKBKG
SCHEMBL8152889 0.74 NFE2L2 (0.33) NFE2L2IKBKBCHUKIKBKGMAPK1
SCHEMBL8152839 0.74 PSEN1 (0.40) NFE2L2MAPK1ALDH1A1
SCHEMBL8155270 0.74 NFE2L2 (0.33) 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