SCHEMBL21179489

SCHEMBL21179489

C(=C/c1ccccc1-c1ccccc1/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.50
RELA Q04206 1/20 0.47
NFE2L2 Q16236 7/20 0.42
TRPA1 O75762 2/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SNCA P37840 1/20 0.39
CYP19A1 P11511 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.37
MEN1 O00255 2/20 0.37

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
SCHEMBL15988071 0.91 APP (0.47) APPRELANFE2L2TRPA1ALDH1A1
SCHEMBL7165245 0.91 APP (0.47) APPRELANFE2L2TRPA1ALDH1A1
SCHEMBL697661 0.91 APP (0.47) APPRELANFE2L2TRPA1ALDH1A1
SCHEMBL637863 0.90 APP (0.54) APPRELANFE2L2TRPA1ALDH1A1
SCHEMBL14518162 0.90 APP (0.54) APPRELANFE2L2TRPA1ALDH1A1
SCHEMBL1464416 0.87 NFE2L2 (0.54) APPRELANFE2L2MAPTCTDSP1
SCHEMBL27904806 0.87 APP (0.43) APPRELANFE2L2TRPA1ALDH1A1
SCHEMBL275802 0.85 RELA (0.60) APPRELANFE2L2TRPA1ALDH1A1
SCHEMBL806444 0.85 RELA (0.60) APPRELANFE2L2TRPA1ALDH1A1
SCHEMBL21922852 0.85 RELA (0.60) APPRELANFE2L2TRPA1ALDH1A1

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-2019143108-A1 ORGANIC ELECTROLUMINESCENT DEVICE 주식회사 두산 2019-07-25 WO disclosed
WO-2019143112-A1 ORGANIC ELECTROLUMINESCENT DEVICE 주식회사 두산 2019-07-25 WO disclosed