SCHEMBL5784669

SCHEMBL5784669

Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1cc(N2CCN(CC(=O)O)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 7/20 0.47
MAPK14 Q16539 7/20 0.47
SIRT6 Q8N6T7 4/20 0.46
ALDH1A1 P00352 4/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 2/20 0.44
KMT2A Q03164 1/20 0.43
FAAH O00519 2/20 0.42
MGLL Q99685 2/20 0.42
PTPN7 P35236 1/20 0.41
PTPN22 Q9Y2R2 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
SCHEMBL5784686 1.00 MAPK11 (0.47) MAPK11MAPK14SIRT6ALDH1A1MAPT
SCHEMBL5785750 0.92 SIRT6 (0.47) MAPK11MAPK14SIRT6ALDH1A1MAPT
SCHEMBL5801889 0.90 MAPT (0.50) MAPK11MAPK14SIRT6ALDH1A1MAPT
SCHEMBL5785264 0.88 MAPK14 (0.54) MAPK11MAPK14
SCHEMBL1140179 0.88 POLB (0.57) MAPK11MAPK14SIRT6ALDH1A1MAPT
SCHEMBL1140045 0.87 MAPK11 (0.48) MAPK11MAPK14SIRT6ALDH1A1MAPT
SCHEMBL1140167 0.87 MEN1 (0.52) MAPK11MAPK14SIRT6ALDH1A1MAPT
SCHEMBL5789210 0.87 MAPK11 (0.49) MAPK11MAPK14SIRT6ALDH1A1MAPT
SCHEMBL1139653 0.86 MAPK11 (0.47) MAPK11MAPK14SIRT6ALDH1A1MAPT
SCHEMBL1139935 0.86 MAPT (0.54) MAPK11MAPK14SIRT6ALDH1A1MAPT

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-1682520-A1 AMIDE DERIVATIVES AstraZeneca AB (SE) 2006-07-26 EP disclosed
WO-2005042502-A1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2005-05-12 WO disclosed