SCHEMBL6604500

SCHEMBL6604500

COc1ccc(OC(=O)Nc2c(C)noc2C)c2cc(C3CCOC3)oc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 6/20 0.37
PDE4B Q07343 2/20 0.37
PDE4A P27815 1/20 0.36
PDE4C Q08493 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
BRD4 O60885 4/20 0.35
F2 P00734 1/20 0.34
PLG P00747 1/20 0.34
PLAU P00749 1/20 0.34
PLAT P00750 1/20 0.34
KLK1 P06870 1/20 0.34
PRSS1 P07477 1/20 0.34
HTT P42858 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
BRD2 P25440 3/20 0.33
BRD3 Q15059 2/20 0.33
HTR6 P50406 2/20 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
SCHEMBL6609734 0.90 PDE4D (0.35) PDE4DPDE4BPDE4APDE4CBRD4
SCHEMBL6608204 0.84 ALDH1A1 (0.36) PDE4DMEN1KMT2ABRD4HTT
SCHEMBL6607492 0.77 PDE4A (0.42) PDE4DPDE4BPDE4APDE4CMEN1
SCHEMBL6606553 0.73 PDE4D (0.49) PDE4DPDE4BPDE4APDE4CF2
SCHEMBL6605529 0.70 F2 (0.42) PDE4DPDE4BPDE4APDE4CF2
SCHEMBL7017344 0.69 PDE4A (0.52) PDE4DPDE4BPDE4APDE4CHTR6
SCHEMBL5964204 0.68 PDE4D (0.56) PDE4DPDE4BPDE4APDE4CHTT
SCHEMBL6604220 0.68 KDM4E (0.41) PDE4DPDE4BPDE4APDE4CMEN1
SCHEMBL6614123 0.67 ALDH1A1 (0.38) PDE4DPDE4BPDE4APDE4CMEN1
SCHEMBL7017103 0.66 PDE4D (0.53) PDE4DPDE4BPDE4APDE4C

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-1257548-B1 BENZOFURAN CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2004-05-06 EP claimed