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SCHEMBL24949286

SCHEMBL24949286

c1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)c3cccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c3)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 1/20 0.33
▸ HSD17B2 P37059 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 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
SCHEMBL24946940 0.95 KDM4E (0.34) HSD17B1HSD17B2KDM4EATML3MBTL1
SCHEMBL24949289 0.94 KDM4E (0.32) KDM4EATML3MBTL1PDE10ACA12
SCHEMBL24948852 0.94 KDM4E (0.35) HSD17B1HSD17B2KDM4EATML3MBTL1
SCHEMBL24947093 0.94 KDM4E (0.35) HSD17B1HSD17B2KDM4EATML3MBTL1
SCHEMBL24947102 0.93 CDK4 (0.31) HSD17B1HSD17B2
SCHEMBL24949293 0.93 CA12 (0.38) KDM4EATML3MBTL1PDE10ACA12
SCHEMBL24947097 0.92 CA12 (0.36) KDM4EATML3MBTL1PDE10ACA12
SCHEMBL23442492 0.92 ATM (0.40) KDM4EATML3MBTL1PDE10A
SCHEMBL24949314 0.92 ATM (0.40) KDM4EATML3MBTL1PDE10A
SCHEMBL24949292 0.92 ATM (0.40) KDM4EATML3MBTL1PDE10A

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