SCHEMBL14099202

SCHEMBL14099202

Cc1ccc(/C=C/c2ccc(N(c3ccc(/C=C/c4ccc(C)cc4)cc3)c3c4c(c(N(c5ccc(/C=C/c6ccc(C)cc6)cc5)c5ccc(/C=C/c6ccc(C)cc6)cc5)c5cc6ccccc6cc35)Cc3ccccc3C4)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.33
RELA Q04206 3/20 0.33
APP P05067 3/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
DHODH Q02127 1/20 0.33
S100A4 P26447 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
TP53 P04637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL14537282 0.86 RELA (0.41) NFE2L2RELAAPPS100A4TRPM8
SCHEMBL6756865 0.86 RELA (0.41) NFE2L2RELAAPPS100A4TRPM8
SCHEMBL6756869 0.86 RELA (0.41) NFE2L2RELAAPPS100A4TRPM8
SCHEMBL14537284 0.85 RELA (0.40) NFE2L2RELAAPPS100A4TRPM8
SCHEMBL9971930 0.74 RELA (0.52) NFE2L2RELAAPPS100A4MAPT
SCHEMBL14098977 0.74 MAOB (0.36) NFE2L2APPBCHEACHETRPM8
SCHEMBL2130374 0.74 CYP2A6 (0.42) NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL14537281 0.74 RELA (0.46) NFE2L2RELAAPPS100A4TRPM8
SCHEMBL5937803 0.73 RELA (0.50) NFE2L2RELAAPPMAPTKDM4E
SCHEMBL12787323 0.73 RELA (0.50) NFE2L2RELAAPPMAPTKDM4E

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
EP-1109235-B1 Organic electroluminescence device SAMSUNG SDI CO LTD (KR) 2008-08-20 EP disclosed