SCHEMBL24152121

SCHEMBL24152121

c1ccc(-c2nc(-c3cccc(-n4c5cc6ccccc6cc5c5c6ccccc6ccc54)c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.33
AHR P35869 2/20 0.33
ABCG2 Q9UNQ0 2/20 0.33
CYP1A1 P04798 2/20 0.33
FYN P06241 1/20 0.33
MAPK3 P27361 1/20 0.33
PAX8 Q06710 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TERT O14746 2/20 0.33
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
HCRTR1 O43613 1/20 0.32
DUSP3 P51452 1/20 0.31
CYP1B1 Q16678 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
KMT2A Q03164 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
SCHEMBL24154117 0.94 SIRT2 (0.36) CYP1A2AHRABCG2CYP1A1FYN
SCHEMBL24153161 0.94 ABCG2 (0.35) CYP1A2AHRABCG2CYP1A1FYN
SCHEMBL24152207 0.93 ABCG2 (0.33) CYP1A2AHRABCG2CYP1A1FYN
SCHEMBL26476512 0.93 HCRTR1 (0.37) CYP1A2AHRABCG2CYP1A1FYN
SCHEMBL24151800 0.92 ABCG2 (0.34) CYP1A2AHRABCG2CYP1A1FYN
SCHEMBL23740609 0.91 CYP1A1 (0.32) CYP1A2AHRABCG2CYP1A1FYN
SCHEMBL24152715 0.91 MMP12 (0.35) CYP1A2AHRABCG2CYP1A1FYN
SCHEMBL24152797 0.91 HCRTR1 (0.36) AHRABCG2TERTSIRT2SIRT1
SCHEMBL24152086 0.90 TDP1 (0.35) CYP1A2AHRABCG2CYP1A1FYN
SCHEMBL22825797 0.90 PTGER4 (0.33) CYP1A2AHRABCG2CYP1A1FYN

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
WO-2021261962-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2021-12-30 WO disclosed
WO-2021261907-A1 ORGANIC LIGHT EMITTING DEVICE 주식회사 엘지화학 2021-12-30 WO disclosed
WO-2021261977-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2021-12-30 WO disclosed