SCHEMBL7009162

SCHEMBL7009162

CCc1cc2c(C(=O)Oc3ccc([N+](=O)[O-])cc3)cnc(OC(F)F)c2o1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.53
PDE4B Q07343 7/20 0.53
PDE4C Q08493 7/20 0.53
PDE4D Q08499 7/20 0.53
MAPT P10636 8/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.39
GAA P10253 2/20 0.39
BCL9 O00512 1/20 0.39
CTNNB1 P35222 1/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
PIK3CD O00329 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 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
SCHEMBL7011671 0.89 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL7015228 0.80 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL7013430 0.78 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL7050093 0.76 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL6605271 0.75 KMT2A (0.41) MAPTALDH1A1KDM4EHPGDGAA
SCHEMBL7015082 0.74 MAPT (0.45) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL6609547 0.73 MAPT (0.48) MAPTALDH1A1KDM4EHPGDGAA
SCHEMBL7016905 0.72 MAPT (0.43) MAPTALDH1A1KDM4EHPGDGAA
SCHEMBL7015963 0.70 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL7016046 0.70 PDE4A (0.54) 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