SCHEMBL7056722

SCHEMBL7056722

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.43
PDE4B Q07343 4/20 0.43
PDE4C Q08493 4/20 0.43
PDE4D Q08499 4/20 0.43
TDP2 O95551 3/20 0.36
MKNK2 Q9HBH9 4/20 0.35
LMNA P02545 2/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
IKBKB O14920 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
POLB P06746 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
GFER P55789 1/20 0.33

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
SCHEMBL7362735 0.96 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DTDP2
SCHEMBL7054012 0.84 IKBKB (0.39) PDE4APDE4BPDE4CPDE4DMKNK2
SCHEMBL7055258 0.83 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DMKNK2
SCHEMBL7048142 0.80 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DMKNK2
SCHEMBL7053044 0.79 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DMKNK2
O-Tolylamine SCHEMBL7366469 0.79 IKBKB (0.38) PDE4APDE4BPDE4CPDE4DMKNK2
SCHEMBL7052699 0.79 IKBKB (0.45) PDE4APDE4BPDE4CPDE4DMKNK2
SCHEMBL7053973 0.79 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DMKNK2
SCHEMBL7053150 0.78 AAK1 (0.40) PDE4APDE4BPDE4CPDE4DMKNK2
SCHEMBL7056667 0.78 PDE4A (0.42) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0901482-B1 BENZOFURAN CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2003-05-02 EP disclosed