SCHEMBL22876591

SCHEMBL22876591

c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccc(-c7cccc(-c8cccc9ccccc89)c7)cc6c45)n3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
HSD17B10 Q99714 6/20 0.42
MAPT P10636 5/20 0.42
HPGD P15428 5/20 0.42
KDM4E B2RXH2 5/20 0.42
TSHR P16473 2/20 0.42
ATM Q13315 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PLA2G2A P14555 4/20 0.41
PLA2G4A P47712 4/20 0.41
PLA2G10 O15496 1/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39

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
SCHEMBL22876357 1.00 ALDH1A1 (0.42) ALDH1A1HSD17B10MAPTHPGDKDM4E
SCHEMBL22876446 0.99 ALDH1A1 (0.43) ALDH1A1HSD17B10MAPTHPGDKDM4E
SCHEMBL21741760 0.98 ALDH1A1 (0.42) ALDH1A1HSD17B10MAPTHPGDKDM4E
SCHEMBL23820248 0.98 ALDH1A1 (0.44) ALDH1A1HSD17B10MAPTHPGDKDM4E
SCHEMBL20392213 0.98 ALDH1A1 (0.44) ALDH1A1HSD17B10MAPTHPGDKDM4E
SCHEMBL21741763 0.96 ALDH1A1 (0.43) ALDH1A1HSD17B10MAPTHPGDKDM4E
SCHEMBL23821491 0.96 ALDH1A1 (0.43) ALDH1A1HSD17B10MAPTHPGDKDM4E
SCHEMBL23820980 0.96 ALDH1A1 (0.43) ALDH1A1HSD17B10MAPTHPGDKDM4E
SCHEMBL21741695 0.96 ALDH1A1 (0.43) ALDH1A1HSD17B10MAPTHPGDKDM4E
SCHEMBL22876375 0.96 ALDH1A1 (0.45) ALDH1A1HSD17B10MAPTHPGDKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11685859-B2 Organic light emitting device LG CHEM, LTD. (KR) 2023-06-27 US disclosed
US-11685859-B2 Organic light emitting device LG CHEM, LTD. (KR) 2023-06-27 US disclosed
US-20210009894-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2021-01-14 US disclosed