SCHEMBL24152244

SCHEMBL24152244

c1ccc(-c2nc(-c3cccc4sc5ccccc5c34)nc(-n3c4ccccc4c4ccc5ccccc5c43)n2)cc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
F9 P00740 1/20 0.31
DUSP3 P51452 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
SCHEMBL24152480 0.93 KDM4E (0.32) KDM4EALDH1A1TP53MAPTHPGD
SCHEMBL24151850 0.92 KDM4E (0.32) KDM4EALDH1A1TP53MAPTHPGD
SCHEMBL24152252 0.91 CYP1A1 (0.32) KDM4EALDH1A1TP53MAPTHPGD
SCHEMBL24152262 0.90 F9 (0.31) KDM4EALDH1A1TP53MAPTHPGD
SCHEMBL24152100 0.90 F9 (0.31) KDM4EALDH1A1TP53MAPTHPGD
SCHEMBL19239440 0.90 KDM4E (0.35) KDM4EATMHSD17B10L3MBTL1DUSP3
SCHEMBL25502236 0.90 KDM4E (0.35) KDM4EALDH1A1TP53MAPTHPGD
SCHEMBL24151988 0.89 TSHR (0.33) KDM4EALDH1A1TP53MAPTHPGD
SCHEMBL26855479 0.89 KDM4E (0.31) KDM4EALDH1A1TP53MAPTHPGD
SCHEMBL24151862 0.88 PDE10A (0.32) F9

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-2021261907-A1 ORGANIC LIGHT EMITTING DEVICE 주식회사 엘지화학 2021-12-30 WO disclosed
WO-2021261977-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