SCHEMBL5801889

SCHEMBL5801889

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
HPGD P15428 2/20 0.50
MAPK1 P28482 2/20 0.50
ALDH1A1 P00352 2/20 0.50
GAA P10253 1/20 0.50
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SIRT6 Q8N6T7 4/20 0.48
MAPK14 Q16539 8/20 0.45
MAPK11 Q15759 7/20 0.45
POLB P06746 1/20 0.44
FAAH O00519 1/20 0.42
MGLL Q99685 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL5785750 0.92 SIRT6 (0.47) MAPTALDH1A1GAATP53SIRT6
SCHEMBL5784686 0.90 MAPK11 (0.47) MAPTALDH1A1SIRT6MAPK14MAPK11
SCHEMBL5784669 0.90 MAPK11 (0.47) MAPTALDH1A1SIRT6MAPK14MAPK11
SCHEMBL5805476 0.88 MAPK14 (0.51) MAPK14MAPK11
SCHEMBL1140179 0.88 POLB (0.57) MAPTHPGDMAPK1ALDH1A1TDP1
SCHEMBL5788418 0.88 SIRT6 (0.55) MAPTMAPK1ALDH1A1GAASIRT6
SCHEMBL1140045 0.87 MAPK11 (0.48) MAPTALDH1A1SIRT6MAPK14MAPK11
SCHEMBL1140167 0.87 MEN1 (0.52) MAPTALDH1A1SIRT6MAPK14MAPK11
SCHEMBL5789210 0.87 MAPK11 (0.49) MAPTALDH1A1SIRT6MAPK14MAPK11
SCHEMBL1139935 0.86 MAPT (0.54) MAPTMAPK1ALDH1A1LMNATDP1

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