SCHEMBL22876445

SCHEMBL22876445

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6cccc7c(-c8ccc9ccccc9c8)cccc67)cc5c34)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 3/20 0.41
CYP1A2 P05177 3/20 0.41
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 3/20 0.37
HPGD P15428 3/20 0.37
TSHR P16473 2/20 0.37
NFKB1 P19838 1/20 0.37
MAPK1 P28482 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PLA2G2A P14555 2/20 0.36
PLA2G4A P47712 2/20 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
SCHEMBL23820214 0.98 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10CYP1A2TP53
SCHEMBL23820895 0.98 ALDH1A1 (0.39) ALDH1A1KDM4EHSD17B10CYP1A2TP53
SCHEMBL23820585 0.96 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10CYP1A2TP53
SCHEMBL26260438 0.96 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10CYP1A2TP53
SCHEMBL23820180 0.95 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10CYP1A2TP53
SCHEMBL22876612 0.95 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10CYP1A2TP53
SCHEMBL23821392 0.95 ALDH1A1 (0.39) ALDH1A1KDM4EHSD17B10CYP1A2TP53
SCHEMBL23821935 0.95 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10CYP1A2TP53
SCHEMBL23821320 0.95 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10CYP1A2TP53
SCHEMBL21741691 0.95 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10CYP1A2TP53

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