SCHEMBL24948965

SCHEMBL24948965

Clc1ccc(-c2ccccc2-n2c3ccccc3c3c4ccccc4ccc32)c(-c2ccccc2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.36
BMX P51813 1/20 0.34
MCL1 Q07820 3/20 0.34
BAD Q92934 3/20 0.34
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
IDO2 Q6ZQW0 1/20 0.33
PTGES O14684 1/20 0.33
MAPK14 Q16539 1/20 0.33
S100A4 P26447 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP1B1 Q16678 2/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
SERPINE1 P05121 1/20 0.32
BCL2L1 Q07817 2/20 0.32
BRD4 O60885 2/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL30724558 1.00 APAF1 (0.36) APAF1BMXMCL1BADIDO1
SCHEMBL24032482 0.88 MAPK1 (0.36) APAF1BMXMCL1BADIDO1
SCHEMBL30724560 0.86 S100A4 (0.40) APAF1IDO1TDO2IDO2MAPK14
SCHEMBL24948304 0.86 S100A4 (0.40) APAF1IDO1TDO2IDO2MAPK14
SCHEMBL22783412 0.85 BMX (0.40) BMXPTGESMAPK14CYP1A2CYP1B1
SCHEMBL23205964 0.85 KDM4E (0.38) MCL1BADIDO1TDO2IDO2
SCHEMBL24949704 0.85 L3MBTL1 (0.36) APAF1BMXMCL1BADIDO1
SCHEMBL24948897 0.85 APAF1 (0.36) APAF1BMXMCL1BADIDO1
SCHEMBL24949564 0.84 MCL1 (0.41) BMXMCL1BADIDO1CYP1A2
SCHEMBL25000011 0.84 S100A4 (0.38) APAF1IDO1TDO2IDO2MAPK14

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