SCHEMBL24768699

SCHEMBL24768699

c1cc(-c2cccc(-c3cccc(-c4ccc5cc(-c6cccc(-c7ccc8ccccc8c7)c6)ccc5c4)c3)c2)cc(-c2cccc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6cccc(-c7cccc(-c8ccc9c%10ccccc%10c%10ccccc%10c9c8)c7)c6)ccc54)c3)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSD17B1 P14061 2/20 0.40
HSD17B2 P37059 2/20 0.40
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37
TUBA1C Q9BQE3 1/20 0.37
TUBB6 Q9BUF5 1/20 0.37
TUBB2B Q9BVA1 1/20 0.37
TUBB1 Q9H4B7 1/20 0.37

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
SCHEMBL15479882 0.95 KDM4E (0.41) KDM4EATML3MBTL1HSD17B1HSD17B2
SCHEMBL22145822 0.94 KDM4E (0.46) KDM4EATML3MBTL1HSD17B1HSD17B2
SCHEMBL880860 0.93 KDM4E (0.39) KDM4EATML3MBTL1HSD17B1HSD17B2
SCHEMBL22145933 0.93 ATM (0.46) KDM4EATML3MBTL1HSD17B1HSD17B2
SCHEMBL18717916 0.92 L3MBTL1 (0.49) KDM4EATML3MBTL1HSD17B1HSD17B2
SCHEMBL22145946 0.92 ATM (0.47) KDM4EATML3MBTL1HSD17B1HSD17B2
SCHEMBL22145949 0.92 L3MBTL1 (0.51) KDM4EATML3MBTL1HSD17B1HSD17B2
SCHEMBL22145883 0.92 KDM4E (0.43) KDM4EATML3MBTL1HSD17B1HSD17B2
SCHEMBL19271511 0.92 ATM (0.47) KDM4EATML3MBTL1HSD17B1HSD17B2
SCHEMBL15479871 0.91 KDM4E (0.38) 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 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