SCHEMBL7473041

SCHEMBL7473041

CCOC(=O)c1c(C)c(C)nn1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.72
PDE4D Q08499 6/20 0.72
SLC5A1 P13866 1/20 0.56
SLC5A2 P31639 1/20 0.56
MEN1 O00255 1/20 0.56
ALOX12 P18054 1/20 0.56
KMT2A Q03164 1/20 0.56
PDE4A P27815 5/20 0.56
PDE4C Q08493 5/20 0.56
F2 P00734 2/20 0.49
PLAU P00749 2/20 0.49
ELANE P08246 2/20 0.49
CTRB1 P17538 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CA1 P00915 1/20 0.47

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
SCHEMBL30583450 0.84 PDE4D (1.00) PDE4BPDE4DSLC5A1SLC5A2MEN1
SCHEMBL2201643 0.84 PDE4D (1.00) PDE4BPDE4DSLC5A1SLC5A2MEN1
SCHEMBL7465575 0.83 ALDH1A1 (0.51) PDE4BPDE4DKMT2AELANESMN1; SMN2
SCHEMBL10317229 0.81 PDE4B (0.68) PDE4BPDE4DSLC5A1SLC5A2MEN1
SCHEMBL537273 0.81 PDE4B (0.67) PDE4BPDE4DSLC5A1SLC5A2MEN1
SCHEMBL3146601 0.81 PDE4B (0.67) PDE4BPDE4DSLC5A1SLC5A2MEN1
SCHEMBL7471831 0.80 PDE4D (0.66) PDE4DMEN1ALOX12KMT2ASMN1; SMN2
SCHEMBL7420258 0.77 SLC5A1 (0.55) PDE4BPDE4DSLC5A1SLC5A2MEN1
SCHEMBL4522214 0.76 PDE4B (0.67) PDE4BPDE4DSLC5A1SLC5A2MEN1
SCHEMBL31117214 0.76 MAPT (0.76) PDE4BPDE4DSLC5A1SLC5A2MEN1

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