SCHEMBL24930449

SCHEMBL24930449

c1ccc(-c2nc(-c3ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc3)nc(-c3cccc(-c4cccc5oc6ccccc6c45)c3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.37
ALOX5 P09917 1/20 0.36
MAPT P10636 7/20 0.36
ALDH1A1 P00352 6/20 0.35
HPGD P15428 5/20 0.35
KDM4E B2RXH2 4/20 0.35
TSHR P16473 4/20 0.35
MAPK1 P28482 3/20 0.35
HSD17B10 Q99714 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ATM Q13315 2/20 0.35
TP53 P04637 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
POLB P06746 1/20 0.35
CASP1 P29466 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL24930667 0.97 ALDH1A1 (0.37) BACE1ALOX5MAPTALDH1A1HPGD
SCHEMBL22876369 0.94 PLA2G2A (0.36) BACE1ALOX5MAPTALDH1A1HPGD
SCHEMBL24930289 0.94 PLA2G2A (0.36) BACE1ALOX5MAPTALDH1A1HPGD
SCHEMBL24930261 0.94 ALDH1A1 (0.36) ALOX5MAPTALDH1A1HPGDKDM4E
SCHEMBL24990471 0.94 ALDH1A1 (0.36) BACE1ALOX5MAPTALDH1A1HPGD
SCHEMBL25844246 0.93 PLA2G2A (0.38) BACE1ALOX5MAPTALDH1A1HPGD
SCHEMBL24930673 0.93 ALDH1A1 (0.35) ALOX5MAPTALDH1A1HPGDKDM4E
SCHEMBL24930670 0.93 ALDH1A1 (0.35) ALOX5MAPTALDH1A1HPGDKDM4E
SCHEMBL24930305 0.92 MAPT (0.37) BACE1MAPTALDH1A1HPGDKDM4E
SCHEMBL24990463 0.92 BACE1 (0.38) BACE1MAPTALDH1A1HPGDKDM4E

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-2023132694-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-07-13 WO disclosed
WO-2023003146-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-01-26 WO disclosed