SCHEMBL7055258

SCHEMBL7055258

COc1ccc(-c2cccnc2Cl)c2c(C(N)=O)c(C(C)=O)oc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.45
PDE4B Q07343 6/20 0.45
PDE4C Q08493 6/20 0.45
PDE4D Q08499 6/20 0.45
POLB P06746 4/20 0.38
KMT2A Q03164 3/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
IKBKB O14920 1/20 0.35
AVPR2 P30518 1/20 0.35
AVPR1A P37288 1/20 0.35
CYP1A1 P04798 2/20 0.35
CYP1B1 Q16678 2/20 0.35
LMNA P02545 2/20 0.34
RECQL P46063 1/20 0.34
NPC1 O15118 1/20 0.33
MEN1 O00255 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL7051176 0.85 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL7049222 0.84 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL7052699 0.83 IKBKB (0.45) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL7056722 0.83 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL7054012 0.81 IKBKB (0.39) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL7057558 0.81 PDE4B (0.48) PDE4APDE4BPDE4CPDE4DCYP1A1
SCHEMBL7402562 0.80 CYP1A1 (0.39) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL7362735 0.80 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL7056652 0.80 SLC9A1 (0.37) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL7053044 0.79 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DPOLB

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