SCHEMBL25501772

SCHEMBL25501772

c1ccc(-c2ccc(-c3nc(-c4ccc5c(-c6cccc7oc8ccccc8c67)cccc5c4)nc(-c4ccc5ccc6oc7ccccc7c6c5c4)n3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.40
HSD17B10 Q99714 7/20 0.40
MAPT P10636 6/20 0.40
KDM4E B2RXH2 6/20 0.40
HPGD P15428 5/20 0.40
MAPK1 P28482 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ATM Q13315 2/20 0.40
TP53 P04637 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
ALOX15 P16050 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
CYP1A2 P05177 3/20 0.36
CYP1A1 P04798 1/20 0.36

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
SCHEMBL25847560 0.99 ALDH1A1 (0.41) ALDH1A1HSD17B10MAPTKDM4EHPGD
SCHEMBL25501907 0.97 PLA2G2A (0.38) ALDH1A1HSD17B10MAPTKDM4EHPGD
SCHEMBL25508835 0.97 PLA2G2A (0.39) ALDH1A1HSD17B10MAPTKDM4EHPGD
SCHEMBL25501908 0.96 PLA2G2A (0.37) ALDH1A1HSD17B10MAPTKDM4EHPGD
SCHEMBL25503559 0.95 ALDH1A1 (0.39) ALDH1A1HSD17B10MAPTKDM4EHPGD
SCHEMBL25501990 0.94 ALDH1A1 (0.40) ALDH1A1HSD17B10MAPTKDM4EHPGD
SCHEMBL25501782 0.94 PIM1 (0.38) ALDH1A1HSD17B10MAPTKDM4EHPGD
SCHEMBL25501780 0.94 TDP1 (0.37) ALDH1A1HSD17B10MAPTKDM4EHPGD
SCHEMBL25503558 0.94 ALDH1A1 (0.40) ALDH1A1HSD17B10MAPTKDM4EHPGD
SCHEMBL25501902 0.94 L3MBTL1 (0.39) ALDH1A1HSD17B10MAPTKDM4EHPGD

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