SCHEMBL24990504

SCHEMBL24990504

c1cc(-c2ccc3ccc4ccc5ccccc5c4c3c2)cc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cccc4oc5ccccc5c34)n2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 4/20 0.36
MAPT P10636 3/20 0.36
PLA2G2A P14555 2/20 0.35
PLA2G4A P47712 2/20 0.35
PLA2G10 O15496 1/20 0.35
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
ABCG2 Q9UNQ0 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP1A1 P04798 2/20 0.34
FYN P06241 1/20 0.34
MAPK3 P27361 1/20 0.34
AHR P35869 1/20 0.34
PAX8 Q06710 1/20 0.34
PIM1 P11309 1/20 0.34
KDM4E B2RXH2 3/20 0.34
HSD17B10 Q99714 3/20 0.34
TP53 P04637 2/20 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
SCHEMBL24990922 0.96 TDP1 (0.40) TDP1L3MBTL1ALDH1A1MAPTPLA2G2A
SCHEMBL23759474 0.96 TDP1 (0.40) TDP1L3MBTL1ALDH1A1MAPTABCG2
SCHEMBL24990493 0.95 TDP1 (0.40) TDP1L3MBTL1ALDH1A1MAPTPLA2G2A
SCHEMBL26048055 0.95 TDP1 (0.37) TDP1L3MBTL1ALDH1A1MAPTABCG2
SCHEMBL24990552 0.94 TDP1 (0.39) TDP1L3MBTL1ALDH1A1MAPTPLA2G2A
SCHEMBL24991440 0.94 PLA2G2A (0.38) TDP1L3MBTL1ALDH1A1MAPTPLA2G2A
SCHEMBL24990215 0.94 PLA2G2A (0.38) TDP1L3MBTL1ALDH1A1MAPTPLA2G2A
SCHEMBL26231372 0.94 TDP1 (0.38) TDP1L3MBTL1ALDH1A1MAPTPLA2G2A
SCHEMBL24990490 0.93 TDP1 (0.37) TDP1L3MBTL1ALDH1A1MAPTABCG2
SCHEMBL24990926 0.93 TDP1 (0.42) TDP1L3MBTL1ALDH1A1MAPTPLA2G2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023014190-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-02-09 WO disclosed