SCHEMBL28225383

SCHEMBL28225383

Cc1cccc(S(=O)(=O)N(CCC#N)Cc2ccco2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 4/20 0.69
▸ PDE4B Q07343 4/20 0.69
▸ PDE4C Q08493 4/20 0.69
▸ PDE4D Q08499 4/20 0.69
▸ LMNA P02545 2/20 0.69
▸ NPSR1 Q6W5P4 1/20 0.56
▸ TSHR P16473 3/20 0.49
▸ HTT P42858 2/20 0.49
▸ RECQL P46063 1/20 0.47
▸ CNR1 P21554 1/20 0.44
▸ CNR2 P34972 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ GAA P10253 1/20 0.44

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
SCHEMBL28860752 0.87 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7057191 0.82 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7420647 0.81 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL28224653 0.77 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7417324 0.75 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL6752134 0.74 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL6122941 0.70 TSHR (0.72) LMNATSHRHTTRECQLCNR1
SCHEMBL7414203 0.70 PDE4A (0.80) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7417839 0.69 PDE4A (0.81) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL18884495 0.69 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DLMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108164503-A A kind of heteroaromatic and the disubstituted benzenesulfonamides of alkyl side chain and its application in anti-influenza A virus medicament is prepared 武汉大学 2018-06-15 — — CN claimed
CN-108164503-B A kind of heteroaromatic and the disubstituted benzenesulfonamides of alkyl side chain and its preparing the application in anti-influenza A virus medicament 武汉大学 2019-09-17 — — CN disclosed
CN-108164503-A A kind of heteroaromatic and the disubstituted benzenesulfonamides of alkyl side chain and its application in anti-influenza A virus medicament is prepared 武汉大学 2018-06-15 — — CN disclosed
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