SCHEMBL21658360

SCHEMBL21658360

c1ccc(-c2ccccc2-c2nc(-c3cccc(-c4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)c3)nc(-c3ccc4ccccc4c3)n2)cc1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 0.32
ADORA2A P29274 2/20 0.31
ADORA1 P30542 2/20 0.31
GSTP1 P09211 1/20 0.30

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
SCHEMBL21658339 0.95 KDM4E (0.38) KDM4EMEN1ALDH1A1TP53CYP1A2
SCHEMBL21658347 0.94 KDM4E (0.37) KDM4EMEN1ALDH1A1TP53CYP1A2
SCHEMBL21658357 0.94 KDM4E (0.34) KDM4EMEN1ALDH1A1TP53CYP1A2
SCHEMBL23965145 0.94 KDM4E (0.37) KDM4EMEN1ALDH1A1TP53CYP1A2
SCHEMBL21658358 0.94 KDM4E (0.37) KDM4EMEN1ALDH1A1TP53CYP1A2
SCHEMBL21658354 0.94 KDM4E (0.39) KDM4EMEN1ALDH1A1TP53CYP1A2
SCHEMBL22842038 0.93 KDM4E (0.33) KDM4EMEN1ALDH1A1TP53CYP1A2
SCHEMBL23965363 0.93 KDM4E (0.35) KDM4EMEN1ALDH1A1TP53CYP1A2
SCHEMBL23965259 0.93 KDM4E (0.38) KDM4EMEN1ALDH1A1TP53CYP1A2
SCHEMBL21658340 0.92 TSHR (0.34) KDM4EALDH1A1SMN1; SMN2ADORA2AADORA1

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-20210217967-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2021-07-15 US disclosed
WO-2020022768-A1 ORGANIC LIGHT EMITTING DIODE 주식회사 엘지화학 2020-01-30 WO disclosed
WO-2020022771-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2020-01-30 WO disclosed