SCHEMBL24948768

SCHEMBL24948768

c1ccc(-c2ccc(Nc3ccc(-c4ccc5ccc6c7ccccc7ccc6c5c4)cc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.48
ALDH1A1 P00352 6/20 0.47
HSD17B10 Q99714 5/20 0.47
CYP3A4 P08684 2/20 0.47
HPGD P15428 2/20 0.47
HIF1A Q16665 1/20 0.45
CYP1B1 Q16678 1/20 0.45
ALK Q9UM73 1/20 0.42
TSHR P16473 3/20 0.42
ALOX15 P16050 2/20 0.42
TP53 P04637 1/20 0.42
CDC25B P30305 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
CYP2A6 P11509 1/20 0.41
EPHX2 P34913 1/20 0.41
ALOX12 P18054 1/20 0.40
PTGS1 P23219 1/20 0.40
SLC6A2 P23975 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL24056412 0.96 ALDH1A1 (0.50) HPRT1ALDH1A1HSD17B10CYP3A4HPGD
SCHEMBL16541617 0.93 ALDH1A1 (0.52) HPRT1ALDH1A1HSD17B10CYP3A4HPGD
SCHEMBL24055881 0.93 HPRT1 (0.48) HPRT1ALDH1A1HSD17B10CYP3A4HPGD
SCHEMBL27101497 0.93 ALDH1A1 (0.55) HPRT1ALDH1A1HSD17B10CYP3A4HPGD
SCHEMBL23471723 0.93 HSD17B10 (0.52) HPRT1ALDH1A1HSD17B10CYP3A4HPGD
SCHEMBL19849888 0.91 ALDH1A1 (0.48) HPRT1ALDH1A1HSD17B10CYP3A4HPGD
SCHEMBL30800493 0.91 ALDH1A1 (0.48) HPRT1ALDH1A1HSD17B10CYP3A4HPGD
SCHEMBL24056320 0.90 ALDH1A1 (0.56) HPRT1ALDH1A1HSD17B10CYP3A4HPGD
SCHEMBL25734746 0.89 ALDH1A1 (0.50) HPRT1ALDH1A1HSD17B10CYP3A4HPGD
SCHEMBL16773295 0.89 ALDH1A1 (0.55) HPRT1ALDH1A1HSD17B10CYP3A4HPGD

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-2023002447-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-01-26 WO disclosed
WO-2023003403-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-01-26 WO disclosed