SCHEMBL3635783

SCHEMBL3635783

COc1cc(N2CCN(C3CCN(C(=O)OCC(C)C)CC3)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.53
ALDH1A1 P00352 4/20 0.52
LMNA P02545 2/20 0.52
MAPT P10636 4/20 0.48
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
KDM4E B2RXH2 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
ALOX12 P18054 1/20 0.43
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PLK1 P53350 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PTGDR Q13258 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
SCHEMBL2203701 0.91 SIRT6 (0.61) SIRT6ALDH1A1LMNAMAPTKDM4E
SCHEMBL3639481 0.86 MAPT (0.43) SIRT6ALDH1A1LMNAMAPTCHRM2
SCHEMBL310364 0.84 SIRT6 (0.55) SIRT6ALDH1A1LMNAMAPTKDM4E
SCHEMBL25262102 0.83 ALDH1A1 (0.51) SIRT6ALDH1A1LMNAMAPTCHRM2
SCHEMBL520097 0.82 MAPT (0.54) SIRT6ALDH1A1LMNAMAPTCHRM2
SCHEMBL518300 0.81 ALDH1A1 (0.60) SIRT6ALDH1A1LMNAMAPTKDM4E
SCHEMBL518299 0.81 ALDH1A1 (0.60) SIRT6ALDH1A1LMNAMAPTKDM4E
SCHEMBL310045 0.81 ALDH1A1 (0.60) SIRT6ALDH1A1LMNAMAPTKDM4E
SCHEMBL517794 0.80 ALDH1A1 (0.55) SIRT6ALDH1A1LMNAMAPTPLK1
SCHEMBL2062143 0.80 SIRT6 (0.77) SIRT6ALDH1A1LMNAMAPTPLK1

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
EP-2162454-A1 IMIDAZOPYRIDINE KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-03-17 EP disclosed
WO-2008150799-A1 IMIDAZOPYRIDINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO disclosed