SCHEMBL27673236

SCHEMBL27673236

O=C(OC(=O)c1cccnc1)c1cccnc1.[Cu].[Cu]

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.69
APP P05067 1/20 0.61
GAA P10253 1/20 0.61
HCAR3 P49019 1/20 0.61
HCAR2 Q8TDS4 1/20 0.61
F7 P08709 1/20 0.59
F3 P13726 1/20 0.59
SARM1 Q6SZW1 1/20 0.59
SIRT2 Q8IXJ6 1/20 0.59
SIRT6 Q8N6T7 1/20 0.59
SIRT1 Q96EB6 1/20 0.59
SIRT3 Q9NTG7 1/20 0.59
SIRT5 Q9NXA8 1/20 0.59
SIRT4 Q9Y6E7 1/20 0.59
KMT2A Q03164 7/20 0.57
LMNA P02545 3/20 0.57
ATM Q13315 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
HDAC1 Q13547 1/20 0.55

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
SCHEMBL30659698 0.98 ALDH1A1 (0.71) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL2491556 0.98 ALDH1A1 (0.71) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL31648307 0.98 ALDH1A1 (0.71) ALDH1A1APPGAAHCAR3HCAR2
Ammonia Solution, Strong SCHEMBL28264184 0.96 ALDH1A1 (0.69) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL27893145 0.96 ALDH1A1 (0.69) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL4169756 0.92 ALDH1A1 (0.65) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL27430724 0.90 ALDH1A1 (0.62) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL10603067 0.90 ALDH1A1 (0.67) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL10727818 0.90 ALDH1A1 (0.67) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL23881959 0.88 ALDH1A1 (0.65) ALDH1A1APPGAAHCAR3HCAR2

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
CN-1931844-A Prepn process of copper nicotinate CHEN QIANG (CN) 2007-03-21 CN disclosed