SCHEMBL7557495

SCHEMBL7557495

O=C1NC(=S)S/C1=C/c1cccc(Oc2ccc(Cl)c(Cl)c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 10/20 1.00
MMP13 P45452 3/20 0.76
MMP3 P08254 2/20 0.76
NAT1 P18440 2/20 0.69
GSK3B P49841 3/20 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
SCHEMBL7557499 1.00 ADAMTS5 (1.00) ADAMTS5MMP13MMP3NAT1GSK3B
SCHEMBL7972124 0.89 ADAMTS5 (1.00) ADAMTS5MMP13MMP3NAT1GSK3B
SCHEMBL7972127 0.89 ADAMTS5 (1.00) ADAMTS5MMP13MMP3NAT1GSK3B
SCHEMBL1248883 0.87 MMP13 (1.00) ADAMTS5MMP13MMP3NAT1GSK3B
SCHEMBL8308267 0.87 MMP13 (1.00) ADAMTS5MMP13MMP3NAT1GSK3B
SCHEMBL1248886 0.87 MMP13 (1.00) ADAMTS5MMP13MMP3NAT1GSK3B
SCHEMBL18103062 0.85 MMP13 (0.82) ADAMTS5MMP13MMP3NAT1GSK3B
SCHEMBL18103023 0.85 ADAMTS5 (1.00) ADAMTS5MMP13MMP3NAT1GSK3B
SCHEMBL18103051 0.83 NAT1 (0.83) ADAMTS5MMP13MMP3NAT1GSK3B
SCHEMBL6781138 0.82 NAT1 (1.00) ADAMTS5NAT1

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
WO-2002062337-A1 THIAZOLIDINEDIONES SMITHKLINE BEECHAM CORPORATION (US) 2002-08-15 WO claimed
WO-2002062337-A1 THIAZOLIDINEDIONES SMITHKLINE BEECHAM CORPORATION (US) 2002-08-15 WO disclosed