SCHEMBL7015963

SCHEMBL7015963

COc1ncc(C(=O)Oc2ccc([N+](=O)[O-])cc2)c2cc(-c3cccnc3)oc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.55
PDE4B Q07343 1/20 0.55
PDE4C Q08493 1/20 0.55
PDE4D Q08499 1/20 0.55
MAPT P10636 9/20 0.49
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PIK3CD O00329 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.40
POLB P06746 2/20 0.40
RECQL P46063 1/20 0.40
DUSP3 P51452 1/20 0.40
BLM P54132 1/20 0.40
PTPN5 P54829 1/20 0.40
PTPN11 Q06124 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40

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
SCHEMBL7015082 0.81 MAPT (0.45) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL7011671 0.81 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL7015228 0.80 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL7015189 0.80 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL7016905 0.79 MAPT (0.43) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL7016046 0.76 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL7013236 0.75 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL7009876 0.74 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL7409586 0.72 PIK3CD (0.39) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL7013285 0.71 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DMAPT

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-1086106-B1 FUROPYRIDINE DERIVATIVES AND THEIR THERAPEUTICAL USE DARWIN DISCOVERY LTD (GB) 2003-08-20 EP disclosed
EP-1086106-A1 FUROPYRIDINE DERIVATIVES AND THEIR THERAPEUTICAL USE Darwin Discovery Limited (GB) 2001-03-28 EP disclosed
US-6169090-B1 FOR INHIBITION OF PHOSPHODIESTERASE IV DARWIN DISCOVERY, LTD. (GB) 2001-01-02 US disclosed
WO-1999064423-A1 FUROPYRIDINE DERIVATIVES AND THEIR THERAPEUTICAL USE DARWIN DISCOVERY LIMITED (GB) 1999-12-16 WO disclosed