SCHEMBL2333211

SCHEMBL2333211

COc1cc(C(I)CCCCCCCCC(I)c2cc(OC)c3ccccc3[n+]2C)[n+](C)c2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.33
SLC2A1 P11166 2/20 0.33
ALOX15 P16050 1/20 0.31
EP300 Q09472 1/20 0.31
TP53 P04637 1/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TRAP1 Q12931 1/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 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
Iodide SCHEMBL2333206 0.71 SIRT1 (0.39) ACHE
SCHEMBL2336825 0.71 ACHE (0.37) ACHEPOLBKMT2A
SCHEMBL8019789 0.70 ACHE (0.42) ACHEALOX15EP300HPGDKDM4E
Iodide SCHEMBL7256178 0.68 ACHE (0.41) ACHEHPGDKDM4EMAPTATM
Iodide SCHEMBL16054055 0.65 ACHE (0.42) ACHEMAPTMEN1POLBKMT2A
SCHEMBL14740161 0.65 RAB9A (0.41) MAPTL3MBTL1MEN1POLBKMT2A
SCHEMBL9285193 0.63 ALDH1A1 (0.33) EP300GLAHPGDKDM4EMAPT
SCHEMBL14236725 0.63 PDE10A (0.45) SLC2A1ALOX15HPGDKDM4EMAPT
SCHEMBL6334665 0.59 RAB9A (0.47) EP300MAPT
Iodide SCHEMBL2333938 0.59 KDM4E (0.48) ACHEKDM4EMEN1KMT2A

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-2011098829-A1 NUCLEIC ACID COMPLEXES PROCARTA BIOSYSTEMS LTD (GB) 2011-08-18 WO disclosed