SCHEMBL5804845

SCHEMBL5804845

Cc1ccc(C#Cc2ccc(S(N)(=O)=O)s2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.57
CA12 O43570 8/20 0.57
CA9 Q16790 8/20 0.57
CA1 P00915 7/20 0.57
MMP9 P14780 10/20 0.54
MMP2 P08253 9/20 0.54
CA3 P07451 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP8 P22894 1/20 0.39
MMP14 P50281 1/20 0.39
MMP25 Q9NPA2 1/20 0.39

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
SCHEMBL5804960 0.83 CA2 (0.53) CA2CA12CA9CA1MMP9
SCHEMBL14540198 0.83 MMP2 (0.52) CA2CA12CA9CA1MMP9
SCHEMBL5805194 0.76 LMNA (0.52) CA2CA12CA9CA1MMP9
SCHEMBL5805191 0.76 LMNA (0.52) CA2CA12CA9CA1MMP9
SCHEMBL13272367 0.74 MMP9 (0.63) MMP9MMP2MMP1MMP3MMP8
SCHEMBL14540195 0.73 GRM5 (0.44) CA2CA12CA9CA1MMP9
SCHEMBL1348016 0.70 CA2 (0.43) CA2CA12CA9CA1CA7
SCHEMBL313011 0.70 CA2 (0.46) CA2CA12CA9CA1CA5A
SCHEMBL13247263 0.69 MMP9 (0.40) CA2CA12CA9CA1MMP9
SCHEMBL13743183 0.69 CA2 (0.56) CA2CA12CA9CA1MMP9

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-2006075955-A1 PYRAZOLYL ACYLSULFONAMIDE DERIVATIVES AS ENDOTHELIN CONVERTING ENZYME INHIBITORS AND USEFUL IN THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE ASTRAZENECA AB (SE) 2006-07-20 WO disclosed
WO-2006075955-A1 PYRAZOLYL ACYLSULFONAMIDE DERIVATIVES AS ENDOTHELIN CONVERTING ENZYME INHIBITORS AND USEFUL IN THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE ASTRAZENECA AB (SE) 2006-07-20 WO disclosed