SCHEMBL24948353

SCHEMBL24948353

Clc1ccc(-c2cccc(-n3c4ccccc4c4ccc5ccccc5c43)c2)c(-c2ccccc2)c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPK14 Q16539 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CYP1A2 P05177 4/20 0.34
CYP1B1 Q16678 4/20 0.34
MAT2A P31153 3/20 0.34
MCL1 Q07820 1/20 0.33
BAD Q92934 1/20 0.33
SERPINE1 P05121 1/20 0.33
CYP1A1 P04798 3/20 0.33
MDM2 Q00987 2/20 0.33
MARS1 P56192 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
THRB P10828 1/20 0.32

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
SCHEMBL24947184 0.88 CYP1A1 (0.35) KDM4EATML3MBTL1MAPK14NPC1
SCHEMBL24948312 0.87 KDM4E (0.47) KDM4EATML3MBTL1MAPK14NPC1
SCHEMBL24947196 0.87 KDM4E (0.47) KDM4EATML3MBTL1MAPK14NPC1
SCHEMBL24949649 0.86 CYP1A2 (0.41) KDM4EATML3MBTL1NPC1RAB9A
SCHEMBL23195211 0.84 CYP1A2 (0.40) KDM4EATML3MBTL1CYP1A2CYP1B1
SCHEMBL25087794 0.84 KDM4E (0.45) KDM4EATML3MBTL1MAPK14NPC1
SCHEMBL24948897 0.84 APAF1 (0.36) MAPK14CYP1A2CYP1B1MCL1BAD
SCHEMBL25087731 0.83 CYP2A6 (0.39) KDM4EATML3MBTL1NPC1RAB9A
SCHEMBL24948287 0.83 APAF1 (0.41) KDM4EATML3MBTL1MAPK14CYP1A2
SCHEMBL22868752 0.83 L3MBTL1 (0.42) KDM4EATML3MBTL1MAPK14MEN1

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