SCHEMBL28628138

SCHEMBL28628138

COc1ccc(C(OCCOCCOCCOCCOC(N)=O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A11 P48066 4/20 0.47
SLC6A1 P30531 2/20 0.47
KIF11 P52732 6/20 0.44
TP53 P04637 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
KMT2A Q03164 1/20 0.42
SLC6A12 P48065 1/20 0.42
SLC6A13 Q9NSD5 1/20 0.42
LMNA P02545 2/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL23777354 0.85 TP53 (0.47) SLC6A11SLC6A1KIF11TP53MEN1
SCHEMBL8660951 0.84 SLC6A11 (0.45) SLC6A11SLC6A1KIF11TP53MEN1
SCHEMBL13575117 0.84 SLC6A11 (0.45) SLC6A11SLC6A1KIF11TP53MEN1
SCHEMBL31003057 0.84 SLC6A11 (0.45) SLC6A11SLC6A1KIF11TP53MEN1
SCHEMBL4066783 0.84 SLC6A11 (0.51) SLC6A11SLC6A1KIF11TP53MEN1
SCHEMBL31511279 0.83 KIF11 (0.40) SLC6A11SLC6A1KIF11TP53MEN1
SCHEMBL6839724 0.83 SLC6A11 (0.50) SLC6A11SLC6A1KIF11TP53MEN1
SCHEMBL13575115 0.82 SLC6A11 (0.46) SLC6A11SLC6A1KIF11TP53MEN1
SCHEMBL7090463 0.82 KIF11 (0.60) SLC6A11SLC6A1KIF11KCNH2
SCHEMBL2385290 0.82 SLC6A11 (0.46) SLC6A11SLC6A1KIF11TP53MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113365662-A Method of treatment 盖纳万科学有限公司 2021-09-07 CN disclosed
CN-113226332-A Bivalent targeting conjugates 阿布特斯生物制药公司 2021-08-06 CN disclosed