SCHEMBL24152246

SCHEMBL24152246

c1ccc(-c2nc(-c3cccc4c3sc3ccccc34)nc(-n3c4ccccc4c4ccc5ccccc5c43)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.36
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
PRKDC P78527 4/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CB P42338 1/20 0.32
PARP14 Q460N5 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
SCHEMBL24217972 0.93 ALOX5 (0.38) ALOX5TSHRPRKDCPIK3CDPIK3CB
SCHEMBL24154624 0.92 ALOX5 (0.37) ALOX5KDM4EALDH1A1TP53MAPT
SCHEMBL20988518 0.91 ALOX5 (0.38) ALOX5KDM4EALDH1A1TP53MAPT
SCHEMBL24151889 0.91 ALOX5 (0.36) ALOX5KDM4EALDH1A1TP53MAPT
SCHEMBL25660266 0.91 ALOX5 (0.39) ALOX5PRKDCPIK3CDPIK3CBPARP14
SCHEMBL24151933 0.90 ALOX5 (0.35) ALOX5KDM4EALDH1A1TP53MAPT
SCHEMBL21127994 0.90 ALOX5 (0.44) ALOX5KDM4EALDH1A1TP53MAPT
SCHEMBL18593787 0.90 ALOX5 (0.36) ALOX5KDM4EATMHSD17B10L3MBTL1
SCHEMBL16811135 0.89 ALOX5 (0.41) ALOX5KDM4EALDH1A1TP53MAPT
SCHEMBL22049440 0.88 ALOX5 (0.34) ALOX5HPGDPRKDC

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-2021261962-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