SCHEMBL25008328

SCHEMBL25008328

c1ccc(-c2nc(-c3ccc4cccc(-c5ccc6ccccc6c5)c4c3)nc(-c3cccc4oc5ccccc5c34)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 3/20 0.40
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 3/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
ATM Q13315 1/20 0.39
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36

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
SCHEMBL25008994 0.96 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10TP53SMN1; SMN2
SCHEMBL26260462 0.96 TDP1 (0.38) ALDH1A1KDM4EHSD17B10TP53SMN1; SMN2
SCHEMBL24343302 0.95 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10TP53SMN1; SMN2
SCHEMBL25668493 0.95 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10TP53SMN1; SMN2
SCHEMBL25008332 0.95 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10TP53SMN1; SMN2
SCHEMBL23820214 0.94 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10TP53SMN1; SMN2
SCHEMBL25008333 0.94 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10TP53SMN1; SMN2
SCHEMBL22876445 0.94 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10TP53SMN1; SMN2
SCHEMBL25009009 0.94 MAPT (0.40) ALDH1A1KDM4EHSD17B10TP53SMN1; SMN2
SCHEMBL25008349 0.94 MAPT (0.42) ALDH1A1KDM4EHSD17B10TP53SMN1; SMN2

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