SCHEMBL7048142

SCHEMBL7048142

COc1ccc(-c2c(C)cccc2Cl)c2c(C(N)=O)c(C(C)=O)oc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.42
PDE4B Q07343 4/20 0.42
PDE4C Q08493 4/20 0.42
PDE4D Q08499 4/20 0.42
TSHR P16473 1/20 0.39
PTGS2 P35354 4/20 0.37
LMNA P02545 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MKNK2 Q9HBH9 2/20 0.35
SLC9A1 P19634 1/20 0.35
FABP4 P15090 1/20 0.34
MEN1 O00255 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL7051176 0.86 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL7054012 0.84 IKBKB (0.39) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7052278 0.84 PDE4D (0.52) PDE4APDE4BPDE4CPDE4DMKNK2
SCHEMBL7402562 0.81 CYP1A1 (0.39) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7056722 0.80 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DLMNA
O-Tolylamine SCHEMBL7366469 0.80 IKBKB (0.38) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7052699 0.80 IKBKB (0.45) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7055267 0.80 LMNA (0.40) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL7051026 0.78 POLB (0.42) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL7055258 0.78 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DLMNA

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