SCHEMBL24948440

SCHEMBL24948440

Clc1ccccc1-c1cccc(-n2c3ccccc3c3cc4ccccc4cc32)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK14 Q16539 5/20 0.39
TRPA1 O75762 1/20 0.38
SCN9A Q15858 2/20 0.38
GRM5 P41594 1/20 0.38
CYP2A6 P11509 2/20 0.38
TSPO P30536 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
CYP1A2 P05177 1/20 0.34
TNKS2 Q9H2K2 1/20 0.33
HPGD P15428 1/20 0.33
TP53 P04637 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
BACE1 P56817 1/20 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
SCHEMBL24948913 0.90 KDM4E (0.48) KDM4EATML3MBTL1MAPK14TRPA1
SCHEMBL27453936 0.86 KDM4E (0.42) KDM4EATML3MBTL1MAPK14HPGD
SCHEMBL17214902 0.86 L3MBTL1 (0.50) KDM4EATML3MBTL1HPGDESR1
SCHEMBL31352997 0.85 KDM4E (0.46) KDM4EATML3MBTL1MAPK14TRPA1
SCHEMBL22868943 0.84 L3MBTL1 (0.47) KDM4EATML3MBTL1MAPK14GRM5
SCHEMBL23194865 0.83 ATM (0.52) KDM4EATML3MBTL1CYP1A2TP53
SCHEMBL17341227 0.83 L3MBTL1 (0.39) KDM4EATML3MBTL1MAPK14HPGD
SCHEMBL27452744 0.83 L3MBTL1 (0.46) KDM4EATML3MBTL1MAPK14HPGD
SCHEMBL24948348 0.83 KDM4E (0.41) KDM4EATML3MBTL1MAPK14CYP2A6
SCHEMBL23194884 0.83 KDM4E (0.41) KDM4EATML3MBTL1GRM5TSPO

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