SCHEMBL7362735

SCHEMBL7362735

COc1ccc(-c2ncccc2C)c2c(C(N)=O)c(C(C)=O)oc12.Cc1cccnc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.41
PDE4B Q07343 3/20 0.41
PDE4C Q08493 3/20 0.41
PDE4D Q08499 3/20 0.41
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
MKNK2 Q9HBH9 5/20 0.35
TDP2 O95551 3/20 0.34
IKBKB O14920 2/20 0.33
LMNA P02545 1/20 0.32
RECQL P46063 1/20 0.32
MKNK1 Q9BUB5 1/20 0.31
AURKA O14965 1/20 0.31
PDPK1 O15530 1/20 0.31
DYRK3 O43781 1/20 0.31
ROCK2 O75116 1/20 0.31
RPS6KA5 O75582 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
SCHEMBL7056722 0.96 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DCYP1A1
SCHEMBL7056892 0.81 LMNA (0.40) PDE4APDE4BPDE4CPDE4DMKNK2
SCHEMBL7054012 0.80 IKBKB (0.39) PDE4APDE4BPDE4CPDE4DMKNK2
SCHEMBL7055258 0.80 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DCYP1A1
O-Tolylamine SCHEMBL7366469 0.78 IKBKB (0.38) PDE4APDE4BPDE4CPDE4DMKNK2
SCHEMBL7048142 0.77 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DMKNK2
SCHEMBL7053044 0.76 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DCYP1A1
SCHEMBL7052699 0.76 IKBKB (0.45) PDE4APDE4BPDE4CPDE4DCYP1A1
SCHEMBL7053973 0.76 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DMKNK2
SCHEMBL7053150 0.75 AAK1 (0.40) PDE4APDE4BPDE4CPDE4DMKNK2

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-0901482-A1 BENZOFURAN CARBOXAMIDES AND THEIR THERAPEUTIC USE Darwin Discovery Limited (GB) 1999-03-17 EP disclosed
WO-1997044337-A1 BENZOFURAN CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LIMITED (GB) 1997-11-27 WO disclosed