SCHEMBL25850494

SCHEMBL25850494

c1ccc2c(-c3ccc(-c4nc(-c5ccc(-c6cccc7oc8ccccc8c67)cc5)nc(-c5cc6oc7ccccc7c6c6ccccc56)n4)cc3)cccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.39
ENPP3 O14638 1/20 0.39
ALDH1A1 P00352 5/20 0.39
HSD17B10 Q99714 5/20 0.39
KDM4E B2RXH2 4/20 0.39
MAPT P10636 4/20 0.39
HPGD P15428 4/20 0.39
ATM Q13315 2/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
BACE1 P56817 1/20 0.37

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
SCHEMBL25850427 0.97 ENPP3 (0.39) ENPP1ENPP3ALDH1A1HSD17B10KDM4E
SCHEMBL25508090 0.93 BACE1 (0.39) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL25850492 0.93 BACE1 (0.36) ENPP1ENPP3ALDH1A1HSD17B10KDM4E
SCHEMBL25850681 0.92 BACE1 (0.39) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL23820656 0.92 ENPP1 (0.43) ENPP1ENPP3ALDH1A1HSD17B10KDM4E
SCHEMBL21148590 0.91 ALDH1A1 (0.43) ENPP1ENPP3ALDH1A1HSD17B10KDM4E
SCHEMBL25502000 0.90 ENPP1 (0.39) ENPP1ENPP3ALDH1A1HSD17B10KDM4E
SCHEMBL21149228 0.89 MAPT (0.49) ENPP1ENPP3ALDH1A1HSD17B10KDM4E
SCHEMBL25850894 0.89 HCRTR1 (0.35) ENPP1ENPP3ALDH1A1HSD17B10KDM4E
SCHEMBL21148709 0.89 ALDH1A1 (0.38) ENPP1ENPP3ALDH1A1HSD17B10KDM4E

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-2023132694-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-07-13 WO disclosed