SCHEMBL4697930

SCHEMBL4697930

COc1ccccc1NC(=O)c1ccc(OC)c2ncccc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.70
PDE4B Q07343 3/20 0.70
PDE4C Q08493 3/20 0.70
PDE4D Q08499 3/20 0.70
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.61
RAB9A P51151 2/20 0.61
KDM4E B2RXH2 4/20 0.57
MAPT P10636 4/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
ALDH1A1 P00352 2/20 0.57
LMNA P02545 1/20 0.57
HPGD P15428 1/20 0.57
MAPK1 P28482 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
NPC1 O15118 3/20 0.55
IRAK4 Q9NWZ3 2/20 0.55
GAA P10253 1/20 0.54
HTT P42858 1/20 0.54
TP53 P04637 1/20 0.54

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
SCHEMBL4702946 0.90 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL4704299 0.90 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL4701482 0.89 KDM4E (0.71) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL4701218 0.89 PDE4D (0.78) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL4701160 0.88 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL4698455 0.86 PDE4D (0.62) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL4702655 0.82 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL4699784 0.81 PDE4A (0.80) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL4699354 0.81 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL30074719 0.81 PDE4D (0.69) PDE4APDE4BPDE4CPDE4DKMT2A

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-0952832-B1 QUINOLINE CARBOXAMIDES AS TNF INHIBITORS AND AS PDE-IV INHIBITORS DARWIN DISCOVERY LTD (GB) 2008-08-27 EP claimed
EP-0952832-B1 QUINOLINE CARBOXAMIDES AS TNF INHIBITORS AND AS PDE-IV INHIBITORS DARWIN DISCOVERY LTD (GB) 2008-08-27 EP disclosed
EP-0952832-A1 QUINOLINE CARBOXAMIDES AS TNF INHIBITORS AND AS PDE-IV INHIBITORS Darwin Discovery Limited (GB) 1999-11-03 EP disclosed
WO-1997044036-A1 QUINOLINE CARBOXAMIDES AS TNF INHIBITORS AND AS PDE-IV INHIBITORS DARWIN DISCOVERY LIMITED (GB) 1997-11-27 WO disclosed