SCHEMBL25875112

SCHEMBL25875112

c1ccc(-n2c3ccccc3c3cccc(N(c4ccc5oc6ccccc6c5c4)c4ccc5oc6ccc7ccccc7c6c5c4)c32)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ SIRT1 Q96EB6 1/20 0.36
▸ KDM4E B2RXH2 5/20 0.33
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ ATM Q13315 1/20 0.33
▸ MAPT P10636 3/20 0.32
▸ HPGD P15428 3/20 0.32
▸ TSHR P16473 2/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ GLA P06280 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ ALDH1A1 P00352 3/20 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

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
SCHEMBL25875100 0.96 SIRT2 (0.33) SIRT2SIRT1KDM4EL3MBTL1ATM
SCHEMBL24655270 0.95 SIRT2 (0.36) SIRT2SIRT1KDM4EL3MBTL1ATM
SCHEMBL25873654 0.95 SIRT2 (0.35) SIRT2SIRT1KDM4EL3MBTL1ATM
SCHEMBL25874990 0.95 SIRT2 (0.35) SIRT2SIRT1KDM4EL3MBTL1ATM
SCHEMBL24657424 0.93 SIRT2 (0.35) SIRT2SIRT1KDM4EL3MBTL1ATM
SCHEMBL25874083 0.93 L3MBTL1 (0.33) SIRT2SIRT1KDM4EL3MBTL1ATM
SCHEMBL26058335 0.92 SIRT2 (0.39) SIRT2SIRT1KDM4EL3MBTL1ATM
SCHEMBL24657830 0.91 SIRT2 (0.35) SIRT2SIRT1KDM4EL3MBTL1ATM
SCHEMBL26058694 0.91 SIRT2 (0.38) SIRT2SIRT1KDM4EL3MBTL1ATM
SCHEMBL25873647 0.91 L3MBTL1 (0.33) SIRT2SIRT1KDM4EL3MBTL1ATM

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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