Sugi Predict

Sugi Predict / Compounds / Hydrogen Sulfide

Hydrogen Sulfide

Hydrogen Sulfide

SCHEMBL4039808

CSc1ccc(N(C(=O)c2ccccc2)C(C)c2cccc(-c3cc(C(C)(C)S(C)(=O)=O)cc4cccnc34)c2)cc1.CSc1ccc(N(C(=O)c2ccccc2)C(C)c2cccc(-c3cc(C(C)(C)S(C)(=O)=O)cc4cccnc34)c2)cc1.S

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 13/20 0.73
▸ PDE4B Q07343 13/20 0.73
▸ PDE4C Q08493 13/20 0.73
▸ PDE4D Q08499 13/20 0.73
▸ CYP2C9 P11712 7/20 0.50

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
SCHEMBL4041021 0.99 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4040411 0.94 PDE4A (0.84) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4039736 0.92 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4036139 0.90 PDE4A (0.89) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4037967 0.84 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4035640 0.84 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4035548 0.84 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4036070 0.82 PDE4A (0.84) PDE4APDE4BPDE4CPDE4DCYP2C9
Hydrogen Sulfide SCHEMBL6635877 0.82 CYP2C9 (0.60) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4041694 0.81 PDE4A (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487797-B1 HETERO-BRIDGE SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA LTD (CA) 2009-05-27 — — EP disclosed