SCHEMBL13358367

SCHEMBL13358367

Cc1ccccc1N(c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccc(C(C)(C)C)cc3)cc2)cc1)c1ccccc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.40
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
TRPV1 Q8NER1 2/20 0.39
APP P05067 1/20 0.39
CYP1A2 P05177 2/20 0.37
CTDSP1 Q9GZU7 1/20 0.36
MEN1 O00255 4/20 0.34
RAB9A P51151 4/20 0.34
KMT2A Q03164 4/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MAPT P10636 3/20 0.33
POLB P06746 2/20 0.33
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ESRRG P62508 1/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33

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
SCHEMBL13358009 0.97 RELA (0.40) RELANR1H2NR1H3TRPV1APP
SCHEMBL13358103 0.93 RELA (0.37) RELANR1H2NR1H3TRPV1APP
SCHEMBL13358302 0.93 RELA (0.37) RELANR1H2NR1H3TRPV1APP
SCHEMBL13358471 0.93 RELA (0.37) RELANR1H2NR1H3TRPV1APP
SCHEMBL13358228 0.89 RELA (0.48) RELAAPPCYP1A2CTDSP1MEN1
SCHEMBL13358327 0.89 NR1H2 (0.39) RELANR1H2NR1H3TRPV1CYP1A2
SCHEMBL23430058 0.88 RELA (0.50) RELANR1H2NR1H3TRPV1APP
SCHEMBL13358538 0.88 RELA (0.50) RELANR1H2NR1H3TRPV1APP
SCHEMBL12292307 0.88 RELA (0.50) RELANR1H2NR1H3TRPV1APP
SCHEMBL15447627 0.88 RELA (0.50) RELANR1H2NR1H3TRPV1APP

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
WO-2010058995-A1 ELECTROLUMINESCENT DEVICE USING THE ELECTROLUMINESCENT COMPOUNDS GRACEL DISPLAY INC. (KR) 2010-05-27 WO disclosed
EP-2189508-A2 Electroluminescent device using electroluminescent compounds Gracel Display Inc. (KR) 2010-05-26 EP disclosed