SCHEMBL25944621

SCHEMBL25944621

C1=Cc2c(n(-c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc23)CC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ EDNRB P24530 1/20 0.31
▸ EDNRA P25101 1/20 0.31
▸ HDAC4 P56524 1/20 0.31

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
SCHEMBL27334829 0.95 KDM4E (0.34) KDM4EATML3MBTL1EDNRBEDNRA
SCHEMBL25732882 0.91 KDM4E (0.33) KDM4EATML3MBTL1
SCHEMBL12959043 0.90 KDM4E (0.39) KDM4EATML3MBTL1
SCHEMBL25073558 0.90 KDM4E (0.40) KDM4EATML3MBTL1EDNRBEDNRA
SCHEMBL22813077 0.90 KDM4E (0.40) KDM4EATML3MBTL1EDNRBEDNRA
SCHEMBL19114596 0.90 KDM4E (0.40) KDM4EATML3MBTL1EDNRBEDNRA
SCHEMBL25732883 0.89 TSPO (0.30) KDM4EATML3MBTL1
SCHEMBL23737828 0.89 TSPO (0.30) KDM4EATML3MBTL1
SCHEMBL20310822 0.89 KDM4E (0.40) KDM4EATML3MBTL1
SCHEMBL25950117 0.89 MGLL (0.30) —

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023142486-A1 BORON-NITROGEN COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 季华恒烨(佛山)电子材料有限公司 2023-08-03 — — WO disclosed
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