SCHEMBL7013236

SCHEMBL7013236

COc1ncc(C(=O)Oc2ccc([N+](=O)[O-])cc2)c2cc(C3CCOC3)oc12

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.55
PDE4B Q07343 2/20 0.55
PDE4C Q08493 2/20 0.55
PDE4D Q08499 2/20 0.55
MAPT P10636 8/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PIK3CD O00329 1/20 0.38
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
GAA P10253 2/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
PAX8 Q06710 1/20 0.35

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
SCHEMBL7016046 0.95 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL6605220 0.85 KMT2A (0.42) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL7014973 0.80 PDE4D (0.65) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL7015082 0.79 MAPT (0.45) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL7011671 0.78 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL6604037 0.78 KMT2A (0.38) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL7015228 0.78 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL7016905 0.77 MAPT (0.43) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL7015963 0.75 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL7881905 0.74 PDE4D (0.58) 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 2 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
US-6169090-B1 FOR INHIBITION OF PHOSPHODIESTERASE IV DARWIN DISCOVERY, LTD. (GB) 2001-01-02 US disclosed