SCHEMBL24948614

SCHEMBL24948614

c1ccc(-c2ccccc2N(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c2ccc3ccc4ccccc4c3c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HDAC4 P56524 1/20 0.34
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HIF1A Q16665 1/20 0.30
CYP1B1 Q16678 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL24946691 0.98 KDM4E (0.36) KDM4EATML3MBTL1HDAC4
SCHEMBL24948612 0.98 KDM4E (0.40) KDM4EATML3MBTL1HDAC4ALDH1A1
SCHEMBL24946714 0.95 KDM4E (0.38) KDM4EATML3MBTL1ALDH1A1HIF1A
SCHEMBL24946663 0.95 KDM4E (0.34) KDM4EATML3MBTL1HDAC4ALDH1A1
SCHEMBL24948617 0.94 KDM4E (0.37) KDM4EATML3MBTL1HDAC4CA12
SCHEMBL16773376 0.94 KDM4E (0.38) KDM4EATML3MBTL1CA12CA1
SCHEMBL24949729 0.93 KDM4E (0.36) KDM4EATML3MBTL1HDAC4
SCHEMBL24949528 0.93 KDM4E (0.36) KDM4EATML3MBTL1HDAC4CA12
SCHEMBL24946664 0.92 KDM4E (0.35) KDM4EATML3MBTL1ALDH1A1HIF1A
SCHEMBL19382793 0.92 KDM4E (0.38) KDM4EATML3MBTL1HDAC4

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