SCHEMBL3634827

SCHEMBL3634827

CCCc1cc(C2=CCN(C(=O)OCC(C)C)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 1/20 0.38
QDPR P09417 2/20 0.38
NAMPT P43490 4/20 0.36
OPRK1 P41145 1/20 0.36
CTSB P07858 1/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
PABPC1 P11940 1/20 0.33

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
SCHEMBL310607 0.85 NAMPT (0.47) NAMPT
SCHEMBL30711543 0.74 QDPR (0.47) QDPRMAPTMEN1KMT2AL3MBTL1
SCHEMBL311751 0.71 SIGMAR1 (0.37) MAPTALDH1A1KDM4EGAA
SCHEMBL15283571 0.70 NAMPT (0.47) QDPRNAMPT
SCHEMBL24793986 0.69 NAMPT (0.51) QDPRNAMPTMAPTALDH1A1LMNA
SCHEMBL2946035 0.69 NAMPT (0.51) QDPRNAMPTMAPTALDH1A1LMNA
SCHEMBL29709692 0.69 NAMPT (0.51) QDPRNAMPTMAPTALDH1A1LMNA
SCHEMBL28435175 0.69 QDPR (0.46) QDPRNAMPTMAPTMEN1KMT2A
SCHEMBL17197280 0.69 QDPR (0.54) QDPRNAMPTMAPTMEN1KMT2A
SCHEMBL3503856 0.69 ALDH1A1 (0.32) L3MBTL1ALDH1A1KDM4EGAA

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