SCHEMBL22705682

SCHEMBL22705682

c1ccc(-n2c3ccccc3c3ccc(-c4cccc5c(-c6ccc7ccccc7c6)c6cccc(-c7ccc8c9cc(-c%10ccc%11cc(-c%12c%13cccc(-c%14cccc%15c%16ccccc%16n(-c%16ccccc%16)c%14%15)c%13cc%13c(-c%14cccc%15c%16ccccc%16n(-c%16ccccc%16)c%14%15)cccc%12%13)ccc%11c%10)ccc9n(-c9ccccc9)c8c7)c6cc45)cc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MET P08581 1/20 0.33
PTGER4 P35408 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32
TUBA1C Q9BQE3 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
SCHEMBL22706381 0.97 KDM4E (0.35) KDM4EATML3MBTL1METPTGER4
SCHEMBL22707523 0.95 KDM4E (0.38) KDM4EATML3MBTL1METPIK3CD
SCHEMBL22707814 0.92 KDM4E (0.36) KDM4EATML3MBTL1HSD17B1HSD17B2
SCHEMBL22708159 0.91 KDM4E (0.41) KDM4EATML3MBTL1METPTGER4
SCHEMBL22708160 0.91 KDM4E (0.44) KDM4EATML3MBTL1METTUBB4A
SCHEMBL22706356 0.90 KDM4E (0.40) KDM4EATML3MBTL1METTUBB4A
SCHEMBL22705680 0.89 KDM4E (0.45) KDM4EATML3MBTL1METPTGER4
SCHEMBL22706590 0.88 KDM4E (0.38) KDM4EATML3MBTL1METPTGER4
SCHEMBL24173694 0.87 KDM4E (0.40) KDM4EATML3MBTL1METPTGER4
SCHEMBL22707777 0.87 L3MBTL1 (0.40) KDM4EATML3MBTL1PTGER4TUBB4A

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
US-20200373496-A1 ORGANIC LIGHT EMITTING ELEMENT LG CHEM, LTD. (KR) 2020-11-26 US disclosed