SCHEMBL24930773

SCHEMBL24930773

c1ccc(-c2nc(-c3ccc(-c4cccc5oc6ccccc6c45)cc3)nc(-c3ccc4ccc5ccc6ccccc6c5c4c3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 6/20 0.41
MAPT P10636 5/20 0.41
HPGD P15428 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPK1 P28482 2/20 0.41
TP53 P04637 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ABCG2 Q9UNQ0 3/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
FYN P06241 1/20 0.39
MAPK3 P27361 1/20 0.39

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
SCHEMBL24991072 0.96 MAPT (0.40) ALDH1A1KDM4EMAPTHPGDTDP1
SCHEMBL23759426 0.95 MAPT (0.41) ALDH1A1KDM4EMAPTHPGDTDP1
SCHEMBL24990543 0.94 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTHPGDTDP1
SCHEMBL27368337 0.94 MAPT (0.40) ALDH1A1KDM4EMAPTHPGDTDP1
SCHEMBL24930684 0.94 TDP1 (0.42) ALDH1A1KDM4EMAPTHPGDTDP1
SCHEMBL24930466 0.94 MAPT (0.40) ALDH1A1KDM4EMAPTHPGDTDP1
SCHEMBL24991525 0.93 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTHPGDTDP1
SCHEMBL24990552 0.93 TDP1 (0.39) ALDH1A1KDM4EMAPTHPGDTDP1
SCHEMBL24990874 0.93 TDP1 (0.41) ALDH1A1KDM4EMAPTHPGDTDP1
SCHEMBL24990764 0.93 TDP1 (0.38) ALDH1A1KDM4EMAPTHPGDTDP1

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-2023132694-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-07-13 WO disclosed
WO-2023014190-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-02-09 WO disclosed
WO-2023003146-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-01-26 WO disclosed