SCHEMBL25874990

SCHEMBL25874990

c1ccc(N(c2ccc3oc4ccc5ccccc5c4c3c2)c2cccc3c4ccccc4n(-c4ccccc4)c23)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.35
▸ SIRT1 Q96EB6 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ ATM Q13315 1/20 0.34
▸ TSHR P16473 3/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ AHR P35869 2/20 0.31
▸ CYP1A1 P04798 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ FYN P06241 1/20 0.31
▸ MAPK3 P27361 1/20 0.31
▸ PAX8 Q06710 1/20 0.31
▸ ABCG2 Q9UNQ0 1/20 0.31
▸ HSD17B10 Q99714 2/20 0.30
▸ PRKDC P78527 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
SCHEMBL25875112 0.95 SIRT2 (0.36) SIRT2SIRT1KDM4EL3MBTL1ATM
SCHEMBL25873595 0.94 KDM4E (0.34) SIRT2SIRT1KDM4EL3MBTL1ATM
SCHEMBL25875100 0.93 SIRT2 (0.33) SIRT2SIRT1KDM4EL3MBTL1ATM
SCHEMBL25875225 0.93 CYP1A1 (0.32) SIRT2SIRT1KDM4EL3MBTL1ATM
SCHEMBL25875234 0.91 ABCG2 (0.34) SIRT2SIRT1KDM4EL3MBTL1ATM
SCHEMBL25873991 0.91 L3MBTL1 (0.33) SIRT2SIRT1KDM4EL3MBTL1ATM
SCHEMBL26556882 0.91 SIRT2 (0.33) SIRT2SIRT1AHRCYP1A1CYP1A2
SCHEMBL24655270 0.90 SIRT2 (0.36) SIRT2SIRT1KDM4EL3MBTL1ATM
SCHEMBL25873654 0.90 SIRT2 (0.35) SIRT2SIRT1KDM4EL3MBTL1ATM
SCHEMBL25875392 0.90 SIRT2 (0.32) SIRT2SIRT1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023132694-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-07-13 — — WO disclosed
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