SCHEMBL6633231

SCHEMBL6633231

CC(Cc1cc(-c2cccc(C(=O)Nc3c(Cl)cncc3Cl)c2)c2ncccc2c1)S(C)(=O)=O

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 14/20 0.68
PDE4B Q07343 14/20 0.68
PDE4C Q08493 14/20 0.68
PDE4D Q08499 14/20 0.68
SERPINE1 P05121 1/20 0.42
CYP2C9 P11712 3/20 0.41
CFD P00746 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL6632923 0.87 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL6634565 0.86 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL6633973 0.85 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DSERPINE1
SCHEMBL6680403 0.83 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL6636055 0.83 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL6633023 0.83 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL5778750 0.82 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL6633838 0.82 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DSERPINE1
SCHEMBL5775465 0.82 SLC40A1 (0.48) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL6633839 0.81 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DSERPINE1

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-1487797-A1 HETERO-BRIDGE SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS Merck Frosst Canada & Co. (CA) 2004-12-22 EP disclosed
WO-2003078397-A1 HETERO-BRIDGE SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-09-25 WO disclosed