SCHEMBL22876201

SCHEMBL22876201

CC1(C)c2cc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc6c(c5)c5cc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)ccc5n6-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc3)ccc2-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc21

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSPO P30536 2/20 0.34
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HDAC4 P56524 1/20 0.32
PDK2 Q15119 2/20 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
SCHEMBL12367575 0.98 TSPO (0.36) TSPOKDM4EATML3MBTL1HDAC4
SCHEMBL13479084 0.97 TSPO (0.37) TSPOKDM4EATML3MBTL1HDAC4
SCHEMBL10309933 0.97 KDM4E (0.36) TSPOKDM4EATML3MBTL1HDAC4
SCHEMBL13479093 0.97 TSPO (0.37) TSPOKDM4EATML3MBTL1HDAC4
SCHEMBL12367553 0.96 TSPO (0.35) TSPOPDK2
SCHEMBL20857455 0.96 KDM4E (0.37) TSPOKDM4EATML3MBTL1HDAC4
SCHEMBL14900982 0.96 TSPO (0.38) TSPOKDM4EATML3MBTL1HDAC4
SCHEMBL22141074 0.96 TSPO (0.38) TSPOKDM4EATML3MBTL1HDAC4
SCHEMBL16206388 0.96 TSPO (0.38) TSPOKDM4EATML3MBTL1HDAC4
SCHEMBL15306452 0.96 KDM4E (0.37) TSPOKDM4EATML3MBTL1HDAC4

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
US-11685859-B2 Organic light emitting device LG CHEM, LTD. (KR) 2023-06-27 US disclosed
US-20210009894-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2021-01-14 US disclosed