SCHEMBL24768631

SCHEMBL24768631

C1=CC(c2ccccc2)=CC(c2ccc(-c3cccc(-c4cccc(-c5ccc(-c6ccc(-c7ccc(-n8c9ccccc9c9cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10cccc(-c%11ccccc%11)c%10)ccc98)cc7)cc6)cc5)c4)c3)cc2)C1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSPO P30536 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
SCHEMBL24827719 0.95 HDAC4 (0.36) HDAC4KDM4EATML3MBTL1TSPO
SCHEMBL22185672 0.91 HDAC4 (0.35) HDAC4KDM4EATML3MBTL1
SCHEMBL18516507 0.90 ATM (0.32) HDAC4KDM4EATML3MBTL1
SCHEMBL22993588 0.87 L3MBTL1 (0.44) HDAC4KDM4EATML3MBTL1
SCHEMBL19114700 0.86 KDM4E (0.37) HDAC4KDM4EATML3MBTL1
SCHEMBL26747048 0.86 KDM4E (0.37) HDAC4KDM4EATML3MBTL1
SCHEMBL21583487 0.86 KDM4E (0.42) HDAC4KDM4EATML3MBTL1
SCHEMBL14608771 0.86 HDAC4 (0.39) HDAC4KDM4EATML3MBTL1
SCHEMBL19071464 0.86 ATM (0.35) HDAC4KDM4EATML3MBTL1TSPO
SCHEMBL25752279 0.84 HDAC4 (0.38) HDAC4KDM4EATML3MBTL1TSPO

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-2022255427-A1 AROMATIC COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT, COMPOSITION, AND METHOD FOR PRODUCING ORGANIC ELECTROLUMINESCENCE ELEMENT 三菱ケミカル株式会社 2022-12-08 WO disclosed