Sugi Predict

Sugi Predict / Compounds / SCHEMBL6605260

SCHEMBL6605260

SCHEMBL6605260

CCS(=O)(=O)C(Cc1cccc(-c2cc(C(C)CS(C)(=O)=O)cc3cccnc23)c1)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 19/20 0.61
▸ PDE4B Q07343 19/20 0.61
▸ PDE4C Q08493 19/20 0.61
▸ PDE4D Q08499 19/20 0.61
▸ CYP2C9 P11712 13/20 0.61

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
SCHEMBL6605087 0.89 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL6605448 0.86 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL6604380 0.85 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL5777013 0.84 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL6182152 0.83 CYP2C9 (0.87) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL6603007 0.81 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL5776844 0.81 CYP2C9 (0.52) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL5777032 0.81 CYP2C9 (0.52) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL6608930 0.79 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL8365219 0.79 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DCYP2C9

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-1404330-A1 SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS Merck Frosst Canada & Co. (CA) 2004-04-07 — — EP disclosed
WO-2003002118-A1 SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-01-09 — — WO disclosed