SCHEMBL24949338

SCHEMBL24949338

c1ccc(-c2ccc(N(c3cccc(-c4cccc(-n5c6ccccc6c6c7ccccc7ccc65)c4)c3)c3cccc(-c4ccc5ccccc5c4)c3)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
OPRD1 P41143 1/20 0.31
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 0.31
TSPO P30536 1/20 0.30

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
SCHEMBL21370071 0.98 KDM4E (0.34) KDM4EATML3MBTL1HSD17B1HSD17B2
SCHEMBL21370075 0.97 KDM4E (0.33) KDM4EATML3MBTL1HSD17B1HSD17B2
SCHEMBL20812559 0.97 ATM (0.35) KDM4EATML3MBTL1TSPO
SCHEMBL17658779 0.97 ATM (0.35) KDM4EATML3MBTL1TSPO
SCHEMBL20813251 0.96 KDM4E (0.34) KDM4EATML3MBTL1HSD17B1HSD17B2
SCHEMBL19507410 0.96 KDM4E (0.34) KDM4EATML3MBTL1HSD17B1HSD17B2
SCHEMBL20813043 0.96 KDM4E (0.34) KDM4EATML3MBTL1TSPO
SCHEMBL26489764 0.95 HSD17B1 (0.32) HSD17B1HSD17B2ESR1ESR2
SCHEMBL24374236 0.95 NR3C1 (0.31) KDM4EATML3MBTL1HSD17B1HSD17B2
SCHEMBL24948013 0.95 KDM4E (0.33) KDM4EATML3MBTL1HSD17B1HSD17B2

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