SCHEMBL24948314

SCHEMBL24948314

Clc1ccc(-c2c(-c3ccccc3)cccc2-n2c3ccccc3c3ccccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.42
CYP1A2 P05177 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MDM2 Q00987 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2C9 P11712 1/20 0.37
DHODH Q02127 1/20 0.37
NR1H2 P55055 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PDE4A P27815 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A2 O94788 1/20 0.36
ALDH1A3 P47895 1/20 0.36
PTGDR2 Q9Y5Y4 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
SCHEMBL26490329 1.00 MAPK14 (0.42) MAPK14CYP1A2ALDH1A1MDM2CYP3A4
SCHEMBL26491622 0.99 CYP1A2 (0.43) MAPK14CYP1A2ALDH1A1MDM2CYP3A4
SCHEMBL30257479 0.92 MAPK14 (0.39) MAPK14CYP1A2ALDH1A1MDM2CYP3A4
SCHEMBL15455628 0.91 ALDH1A1 (0.46) MAPK14ALDH1A1NR1H2KDM4EATM
SCHEMBL26491813 0.90 MDM2 (0.38) MAPK14CYP1A2ALDH1A1MDM2CYP3A4
SCHEMBL27012161 0.88 CYP1A2 (0.40) MAPK14CYP1A2ALDH1A1MDM2KDM4E
SCHEMBL24947205 0.87 MAPK14 (0.38) MAPK14CYP1A2MDM2CYP3A4CYP2C8
SCHEMBL24948303 0.86 BMX (0.39) MAPK14CYP1A2MDM2CYP3A4CYP2C8
SCHEMBL26491673 0.86 BMX (0.39) MAPK14CYP1A2MDM2CYP3A4CYP2C8
SCHEMBL26491772 0.85 BMX (0.38) MAPK14CYP1A2MDM2CYP3A4CYP2C8

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-2023002447-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-01-26 WO disclosed
WO-2023003403-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-01-26 WO disclosed