SCHEMBL17742500

SCHEMBL17742500

c1ccc(-c2cccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccc4c(ccc5ccccc54)c3)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HDAC4 P56524 1/20 0.35
TSPO P30536 1/20 0.33
CYP1B1 Q16678 3/20 0.32
CYP1A2 P05177 3/20 0.32
CYP1A1 P04798 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
PRSS1 P07477 1/20 0.31
HSD17B1 P14061 2/20 0.31
HSD17B2 P37059 2/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
FGFR1 P11362 1/20 0.31
ERBB2 P04626 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
SCHEMBL24948572 0.99 L3MBTL1 (0.41) KDM4EATML3MBTL1HDAC4TSPO
SCHEMBL10114595 0.98 KDM4E (0.36) KDM4EATML3MBTL1HDAC4TSPO
SCHEMBL6372554 0.98 KDM4E (0.38) KDM4EATML3MBTL1HDAC4CYP1B1
SCHEMBL24946656 0.94 KDM4E (0.35) KDM4EATML3MBTL1HDAC4TSPO
SCHEMBL19738260 0.94 KDM4E (0.42) KDM4EATML3MBTL1HDAC4TSPO
SCHEMBL24946814 0.94 ATM (0.39) KDM4EATML3MBTL1HDAC4TSPO
SCHEMBL24948606 0.94 L3MBTL1 (0.41) KDM4EATML3MBTL1HDAC4TSPO
SCHEMBL24946662 0.93 KDM4E (0.36) KDM4EATML3MBTL1HDAC4TSPO
SCHEMBL24948224 0.93 KDM4E (0.33) KDM4EATML3MBTL1HDAC4TSPO
SCHEMBL24949765 0.93 KDM4E (0.38) KDM4EATML3MBTL1HDAC4CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023002447-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-01-26 WO disclosed
WO-2023003403-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-01-26 WO disclosed
WO-2016072690-A1 ORGANIC ELECTRONIC DEVICE AND DISPLAY DEVICE USING COMPOSITION FOR ORGANIC ELECTRONIC DEVICE 덕산네오룩스 주식회사 2016-05-12 WO disclosed