SCHEMBL14537282

SCHEMBL14537282

Cc1ccc(/C=C/c2ccc(N(c3ccc(/C=C/c4ccc(C)cc4)cc3)c3c4cc5ccccc5cc4c(N(c4ccc(/C=C/c5ccc(C)cc5)cc4)c4ccc(/C=C/c5ccc(C)cc5)cc4)c4cc5ccccc5cc34)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 3/20 0.41
NFE2L2 Q16236 5/20 0.40
APP P05067 3/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
ALOX5 P09917 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
S100A4 P26447 1/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38

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
SCHEMBL6756869 1.00 RELA (0.41) RELANFE2L2APPTRPM8ALOX5
SCHEMBL6756865 1.00 RELA (0.41) RELANFE2L2APPTRPM8ALOX5
SCHEMBL14537284 0.98 RELA (0.40) RELANFE2L2APPTRPM8ALOX5
SCHEMBL9971930 0.87 RELA (0.52) RELANFE2L2APPS100A4MAPT
SCHEMBL14537281 0.86 RELA (0.46) RELANFE2L2APPTRPM8ALOX5
SCHEMBL2130374 0.86 CYP2A6 (0.42) ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL14099202 0.86 NFE2L2 (0.33) RELANFE2L2APPTRPM8ALOX5
SCHEMBL9971945 0.85 RELA (0.50) RELANFE2L2APPS100A4MAPT
SCHEMBL14537279 0.85 APP (0.44) RELANFE2L2APPTRPM8ALOX5
SCHEMBL9971944 0.84 RELA (0.49) RELANFE2L2APPS100A4MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349472-B2 Organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2013-01-08 US disclosed
US-8349472-B2 Organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2013-01-08 US disclosed