SCHEMBL13358339

SCHEMBL13358339

CC(C)(C)c1ccc(N(c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3)cc2)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 2/20 0.47
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TRPV1 Q8NER1 2/20 0.39
APP P05067 2/20 0.39
PPARA Q07869 1/20 0.38
NQO2 P16083 2/20 0.38
CYP1A2 P05177 1/20 0.37
MEN1 O00255 2/20 0.37
RAB9A P51151 2/20 0.37
KMT2A Q03164 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36

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
SCHEMBL13358645 1.00 RELA (0.47) RELAMAPTALDH1A1GLASMN1; SMN2
SCHEMBL13358676 1.00 RELA (0.47) RELAMAPTALDH1A1GLASMN1; SMN2
SCHEMBL13358266 1.00 RELA (0.47) RELAMAPTALDH1A1GLASMN1; SMN2
SCHEMBL13358424 1.00 RELA (0.47) RELAMAPTALDH1A1GLASMN1; SMN2
SCHEMBL12292313 0.97 RELA (0.46) RELAMAPTALDH1A1GLASMN1; SMN2
SCHEMBL13358111 0.96 RELA (0.44) RELAMAPTALDH1A1GLASMN1; SMN2
SCHEMBL13358301 0.96 RELA (0.44) RELAMAPTALDH1A1GLASMN1; SMN2
SCHEMBL12887551 0.96 RELA (0.44) RELAMAPTALDH1A1GLASMN1; SMN2
SCHEMBL13358040 0.95 RELA (0.43) RELAMAPTALDH1A1GLASMN1; SMN2
SCHEMBL13358555 0.95 RELA (0.43) RELAMAPTALDH1A1GLASMN1; SMN2

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