SCHEMBL24990799

SCHEMBL24990799

c1ccc(-c2ccccc2-c2nc(-c3cccc(-c4ccc5c(ccc6c7ccccc7ccc56)c4)c3)nc(-c3cccc4oc5ccccc5c34)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
MAPT P10636 4/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 3/20 0.37
TSHR P16473 3/20 0.37
HSD17B10 Q99714 3/20 0.37
ALOX15 P16050 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
TDP1 Q9NUW8 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
MAPK1 P28482 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
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL24990760 0.98 L3MBTL1 (0.38) HSD17B1HSD17B2MAPTALDH1A1KDM4E
SCHEMBL24991436 0.97 MAPT (0.36) HSD17B1HSD17B2MAPTALDH1A1KDM4E
SCHEMBL24907956 0.95 MAPT (0.38) HSD17B1HSD17B2MAPTALDH1A1KDM4E
SCHEMBL24990812 0.95 PLA2G2A (0.37) HSD17B1HSD17B2MAPTALDH1A1KDM4E
SCHEMBL24990549 0.95 MAPT (0.39) HSD17B1HSD17B2MAPTALDH1A1KDM4E
SCHEMBL24990417 0.95 L3MBTL1 (0.38) HSD17B1HSD17B2MAPTALDH1A1KDM4E
SCHEMBL24585806 0.95 TDP1 (0.38) HSD17B1HSD17B2MAPTALDH1A1KDM4E
SCHEMBL24991441 0.95 TDP1 (0.38) HSD17B1HSD17B2MAPTALDH1A1KDM4E
SCHEMBL24990925 0.95 L3MBTL1 (0.40) HSD17B1HSD17B2MAPTALDH1A1KDM4E
SCHEMBL24990339 0.94 TDP1 (0.39) HSD17B1HSD17B2MAPTALDH1A1KDM4E

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-2023014190-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-02-09 WO disclosed