SCHEMBL25944109

SCHEMBL25944109

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6ccc(-n7c8ccccc8c8c9ccccc9ccc87)cc6)cc5c34)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
ABCG2 Q9UNQ0 4/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
FYN P06241 1/20 0.33
MAPK3 P27361 1/20 0.33
AHR P35869 1/20 0.33
PAX8 Q06710 1/20 0.33
PLA2G2A P14555 2/20 0.33
PLA2G4A P47712 2/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
TSHR P16473 2/20 0.32
HSD17B10 Q99714 2/20 0.32
MAPK1 P28482 2/20 0.32
TP53 P04637 1/20 0.32
NFKB1 P19838 1/20 0.32

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
SCHEMBL23740450 0.95 ABCG2 (0.34) SIRT2SIRT1ABCG2CYP1A1CYP1A2
SCHEMBL21862802 0.94 ABCG2 (0.33) SIRT2SIRT1ABCG2CYP1A1CYP1A2
SCHEMBL19039234 0.94 SIRT2 (0.38) SIRT2SIRT1ABCG2CYP1A1CYP1A2
SCHEMBL25603924 0.94 L3MBTL1 (0.34) SIRT2SIRT1ABCG2CYP1A1CYP1A2
SCHEMBL24152116 0.94 L3MBTL1 (0.34) SIRT2SIRT1ABCG2CYP1A1CYP1A2
SCHEMBL19039238 0.93 SIRT2 (0.37) SIRT2SIRT1ABCG2CYP1A1CYP1A2
SCHEMBL21862699 0.93 ABCG2 (0.35) SIRT2SIRT1ABCG2CYP1A1CYP1A2
SCHEMBL22826181 0.93 L3MBTL1 (0.35) SIRT2SIRT1ABCG2CYP1A1CYP1A2
SCHEMBL23740455 0.93 CYP1A2 (0.32) SIRT2SIRT1ABCG2CYP1A1CYP1A2
SCHEMBL26416513 0.93 TDP1 (0.32) SIRT2SIRT1ABCG2CYP1A1CYP1A2

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
EP-4401536-A1 ORGANIC LIGHT-EMITTING DEVICE LG Chem, Ltd. (KR) 2024-07-17 EP disclosed
WO-2023146319-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-08-03 WO disclosed
WO-2023146318-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-08-03 WO disclosed