SCHEMBL7015584

SCHEMBL7015584

CCc1cc2c(OC(=O)Nc3cc[n+]([O-])cc3Cl)cnc(OC)c2o1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.45
PDE4B Q07343 11/20 0.45
PDE4C Q08493 11/20 0.45
PDE4D Q08499 11/20 0.45
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
EGFR P00533 6/20 0.31
KDR P35968 6/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
BCHE P06276 1/20 0.31
LIPE Q05469 1/20 0.31

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
SCHEMBL7015651 0.91 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL7013469 0.90 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DEGFR
SCHEMBL7019218 0.88 PDE4B (0.49) PDE4APDE4BPDE4CPDE4D
SCHEMBL7015836 0.86 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7019362 0.85 PDE4A (0.48) PDE4APDE4BPDE4CPDE4D
SCHEMBL7021594 0.81 PDE4D (0.59) PDE4APDE4BPDE4CPDE4D
SCHEMBL7019051 0.80 PDE4B (0.47) PDE4APDE4BPDE4CPDE4D
SCHEMBL7015621 0.79 PDE4D (0.49) PDE4APDE4BPDE4CPDE4D
SCHEMBL7020167 0.79 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL7021808 0.78 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DEGFR

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 1 patent. 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 claimed