SCHEMBL25501994

SCHEMBL25501994

c1ccc2c(-c3ccc(-c4nc(-c5cc(-c6cccc7oc8ccccc8c67)c6ccccc6c5)nc(-c5ccc6ccc7oc8ccccc8c7c6c5)n4)cc3)cccc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.36
ENPP1 P22413 1/20 0.36
ALDH1A1 P00352 7/20 0.35
HSD17B10 Q99714 6/20 0.35
MAPT P10636 6/20 0.35
HPGD P15428 5/20 0.35
KDM4E B2RXH2 5/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ATM Q13315 2/20 0.35
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 2/20 0.35
TP53 P04637 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MEN1 O00255 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
SCHEMBL25503746 0.95 TDP1 (0.39) ENPP3ENPP1ALDH1A1HSD17B10MAPT
SCHEMBL25501897 0.95 ALDH1A1 (0.40) ALDH1A1HSD17B10MAPTHPGDKDM4E
SCHEMBL25501990 0.94 ALDH1A1 (0.40) ALDH1A1HSD17B10MAPTHPGDKDM4E
SCHEMBL25501992 0.94 ALDH1A1 (0.35) ALDH1A1HSD17B10MAPTHPGDKDM4E
SCHEMBL25501901 0.94 ALDH1A1 (0.35) ALDH1A1HSD17B10MAPTHPGDKDM4E
SCHEMBL25502063 0.94 ALDH1A1 (0.38) ALDH1A1HSD17B10MAPTHPGDKDM4E
SCHEMBL25501780 0.94 TDP1 (0.37) ENPP3ENPP1ALDH1A1HSD17B10MAPT
SCHEMBL25502066 0.94 L3MBTL1 (0.37) ALDH1A1HSD17B10MAPTHPGDKDM4E
SCHEMBL25502072 0.93 ALDH1A1 (0.36) ALDH1A1HSD17B10MAPTHPGDKDM4E
SCHEMBL24314663 0.93 ALDH1A1 (0.39) ENPP3ENPP1ALDH1A1HSD17B10MAPT

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-2023132694-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-07-13 WO disclosed
WO-2023096318-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-06-01 WO disclosed