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Hydrogen Sulfide

Hydrogen Sulfide

SCHEMBL6635877

CSc1ccc(N(CCc2cccc(-c3cc(C(C)(C)S(C)(=O)=O)cc4cccnc34)c2)C(=O)c2ccccc2)cc1.CSc1ccc(N(CCc2cccc(-c3cc(C(C)(C)S(C)(=O)=O)cc4cccnc34)c2)C(=O)c2ccccc2)cc1.S

nearest known ligand 0.60

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Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 11/20 0.60
▸ PDE4A P27815 15/20 0.58
▸ PDE4B Q07343 15/20 0.58
▸ PDE4C Q08493 15/20 0.58
▸ PDE4D Q08499 15/20 0.58

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
SCHEMBL6633121 0.93 PDE4A (0.58) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL6633865 0.92 CYP2C9 (0.56) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL6631830 0.84 PDE4A (0.70) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL6684621 0.84 PDE4A (0.69) CYP2C9PDE4APDE4BPDE4CPDE4D
Hydrogen Sulfide SCHEMBL4039808 0.82 PDE4A (0.73) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL6182381 0.81 CYP2C9 (0.73) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL4041021 0.81 PDE4A (0.74) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL6634433 0.81 PDE4A (0.71) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL4209582 0.81 CYP2C9 (0.63) CYP2C9PDE4APDE4BPDE4CPDE4D
SCHEMBL6638207 0.79 CYP2C9 (0.55) CYP2C9PDE4APDE4BPDE4CPDE4D

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