SCHEMBL25504187

SCHEMBL25504187

c1ccc(-c2ccc(-c3nc(-c4ccc5c(ccc6oc7ccccc7c65)c4)nc(-c4cccc5oc6cc(-c7ccc8ccccc8c7)ccc6c45)n3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
HSD17B10 Q99714 3/20 0.37
CYP1A2 P05177 2/20 0.37
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HCRTR1 O43613 1/20 0.36
HSD17B1 P14061 2/20 0.36
HSD17B2 P37059 2/20 0.36
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ANO1 Q5XXA6 1/20 0.35
PGR P06401 1/20 0.35
CYP1A1 P04798 1/20 0.35
FYN P06241 1/20 0.35
MAPK3 P27361 1/20 0.35
AHR P35869 1/20 0.35
PAX8 Q06710 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
SCHEMBL25504090 1.00 ALDH1A1 (0.37) ALDH1A1KDM4EHSD17B10CYP1A2TP53
SCHEMBL25503995 0.99 HCRTR1 (0.37) ALDH1A1KDM4EHSD17B10CYP1A2TP53
SCHEMBL25504186 0.99 ALDH1A1 (0.38) ALDH1A1KDM4EHSD17B10CYP1A2TP53
SCHEMBL25504335 0.99 HCRTR1 (0.37) ALDH1A1KDM4EHSD17B10CYP1A2TP53
SCHEMBL25504188 0.98 HCRTR1 (0.36) ALDH1A1KDM4EHSD17B10CYP1A2TP53
SCHEMBL25504344 0.98 HCRTR1 (0.36) ALDH1A1KDM4EHSD17B10CYP1A2TP53
SCHEMBL25504334 0.98 HCRTR1 (0.37) ALDH1A1KDM4EHSD17B10CYP1A2TP53
SCHEMBL25504091 0.97 HCRTR1 (0.38) ALDH1A1KDM4EHSD17B10CYP1A2HCRTR1
SCHEMBL25503990 0.97 HCRTR1 (0.38) ALDH1A1KDM4EHSD17B10CYP1A2TP53
SCHEMBL25503989 0.97 HCRTR1 (0.38) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023132694-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-07-13 WO disclosed
WO-2023096318-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-06-01 WO disclosed