SCHEMBL24153997

SCHEMBL24153997

c1ccc(-c2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)cc4)cc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
ATM Q13315 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTGER4 P35408 2/20 0.34
HCRTR1 O43613 1/20 0.34
MMP12 P39900 1/20 0.34
MMP13 P45452 1/20 0.34
AHR P35869 2/20 0.33
HDAC4 P56524 1/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
CHEK2 O96017 1/20 0.32
TSHR P16473 1/20 0.32
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
PRSS1 P07477 1/20 0.32
NPC1 O15118 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
SCHEMBL24152093 0.99 KDM4E (0.38) KDM4EATML3MBTL1PTGER4HCRTR1
SCHEMBL24152430 0.97 HCRTR1 (0.35) KDM4EATML3MBTL1PTGER4HCRTR1
SCHEMBL25605968 0.97 HCRTR1 (0.35) KDM4EATML3MBTL1PTGER4HCRTR1
SCHEMBL24151948 0.97 HCRTR1 (0.36) KDM4EATMPTGER4HCRTR1MMP12
SCHEMBL24152700 0.95 HCRTR1 (0.37) KDM4EPTGER4HCRTR1MMP12MMP13
SCHEMBL23740393 0.94 KDM4E (0.35) KDM4EATML3MBTL1PTGER4HCRTR1
SCHEMBL23203699 0.94 CHEK2 (0.33) KDM4EATML3MBTL1PTGER4HCRTR1
SCHEMBL24153998 0.93 CHEK2 (0.39) KDM4EATML3MBTL1PTGER4AHR
SCHEMBL25606070 0.93 HCRTR1 (0.37) KDM4EATML3MBTL1PTGER4HCRTR1
SCHEMBL23740447 0.93 KDM4E (0.36) KDM4EATML3MBTL1PTGER4HCRTR1

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
WO-2021261907-A1 ORGANIC LIGHT EMITTING DEVICE 주식회사 엘지화학 2021-12-30 WO disclosed
WO-2021261962-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2021-12-30 WO disclosed