SCHEMBL25008331

SCHEMBL25008331

c1ccc(-c2nc(-c3cc(-c4cccc5ccccc45)c4ccccc4c3)nc(-c3cccc4oc5ccccc5c34)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.44
MAPT P10636 7/20 0.44
KDM4E B2RXH2 7/20 0.44
HPGD P15428 6/20 0.44
HSD17B10 Q99714 6/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPK1 P28482 2/20 0.44
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ATM Q13315 2/20 0.44
TP53 P04637 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
RAB9A P51151 4/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
ESR1 P03372 1/20 0.34

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
SCHEMBL23821736 0.96 MAPT (0.42) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL24343284 0.95 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL24314573 0.94 ALDH1A1 (0.40) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL25008916 0.94 ALDH1A1 (0.40) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL25008347 0.94 MAPT (0.42) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL25008329 0.94 ALDH1A1 (0.45) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL21707171 0.94 MAPT (0.43) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL25009000 0.93 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL25008351 0.91 MAPT (0.40) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL25008919 0.91 MAPT (0.40) ALDH1A1MAPTKDM4EHPGDHSD17B10

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
EP-4289836-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME Lg Chem, Ltd. (KR) 2023-12-13 EP disclosed
WO-2023014004-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-02-09 WO disclosed