SCHEMBL8167709

SCHEMBL8167709

C=CN(/C=C(/C)N)c1ccc(/C=C/C2=NCC(C)(c3ccc(F)cc3)N2C(C)=O)cc1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
IKBKG Q9Y6K9 1/20 0.36
NFE2L2 Q16236 2/20 0.36
GLO1 Q04760 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
CXCL12 P48061 1/20 0.32
ACHE P22303 3/20 0.32
RELA Q04206 3/20 0.31
CA2 P00918 1/20 0.31
CA5A P35218 1/20 0.31
CA9 Q16790 1/20 0.31
APP P05067 2/20 0.30
PTGS1 P23219 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
SCHEMBL8161438 0.92 IKBKB (0.35) IKBKBCHUKIKBKGNFE2L2GLO1
SCHEMBL8155270 0.80 NFE2L2 (0.33) IKBKBCHUKIKBKGNFE2L2
SCHEMBL8162255 0.80 NFE2L2 (0.33) IKBKBCHUKIKBKGNFE2L2MEN1
SCHEMBL8161449 0.79 NFE2L2 (0.33) IKBKBCHUKIKBKGNFE2L2
SCHEMBL8152839 0.79 PSEN1 (0.40) NFE2L2PSEN1PSEN2APH1BNCSTN
SCHEMBL8161064 0.78 NFE2L2 (0.33) IKBKBCHUKIKBKGNFE2L2
SCHEMBL8159967 0.78 NFE2L2 (0.32) IKBKBCHUKIKBKGNFE2L2
SCHEMBL8162791 0.76 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8054583 0.76 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8067631 0.76 MEN1 (0.32) 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-2008153793-A2 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2008-12-18 WO disclosed