SCHEMBL7420258

SCHEMBL7420258

CCOC(=O)c1c(C)c(C)nn1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 1/20 0.55
SLC5A2 P31639 1/20 0.55
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 2/20 0.47
MAPK1 P28482 2/20 0.47
NPC1 O15118 1/20 0.47
NFKB1 P19838 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
PDE4B Q07343 2/20 0.46
PDE4D Q08499 2/20 0.46
MITF O75030 1/20 0.45
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ELANE P08246 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
SCHEMBL6070168 0.83 PDE4B (0.67) SLC5A1SLC5A2ALDH1A1SMN1; SMN2GAA
SCHEMBL7472993 0.83 PKM (0.56) SLC5A1SLC5A2ALDH1A1SMN1; SMN2GAA
SCHEMBL7470365 0.80 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2GAAMAPTMAPK1
SCHEMBL7473041 0.77 PDE4B (0.72) SLC5A1SLC5A2SMN1; SMN2MAPTNPC1
SCHEMBL7471831 0.77 PDE4D (0.66) ALDH1A1SMN1; SMN2GAAMAPTNPC1
SCHEMBL11082376 0.76 SLC5A1 (0.55) SLC5A1SLC5A2ALDH1A1SMN1; SMN2GAA
SCHEMBL29444927 0.75 SLC5A1 (0.48) SLC5A1SLC5A2ALDH1A1SMN1; SMN2GAA
SCHEMBL11283595 0.74 MAPT (0.47) ALDH1A1SMN1; SMN2GAAMAPTMAPK1
SCHEMBL12165819 0.73 SLC5A1 (0.48) SLC5A1SLC5A2ALDH1A1SMN1; SMN2GAA
SCHEMBL2557420 0.73 MAPT (0.49) SLC5A1SLC5A2ALDH1A1SMN1; SMN2GAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1248781-A1 PYRAZOLE CYCLIC AMP-SPECIFIC PDE INHIBITORS ICOS CORPORATION (US) 2002-10-16 EP claimed
WO-2001046172-A1 PYRAZOLE CYCLIC AMP-SPECIFIC PDE INHIBITORS ICOS CORPORATION (US) 2001-06-28 WO claimed
EP-1248781-A1 PYRAZOLE CYCLIC AMP-SPECIFIC PDE INHIBITORS ICOS CORPORATION (US) 2002-10-16 EP disclosed
WO-2001046172-A1 PYRAZOLE CYCLIC AMP-SPECIFIC PDE INHIBITORS ICOS CORPORATION (US) 2001-06-28 WO disclosed