SCHEMBL8107618

SCHEMBL8107618

CS(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1Sc1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.42
PGR P06401 1/20 0.42
NR3C2 P08235 1/20 0.42
AR P10275 1/20 0.42
PTGS1 P23219 3/20 0.41
PTGS2 P35354 3/20 0.41
CA2 P00918 7/20 0.40
CA1 P00915 5/20 0.40
CA9 Q16790 5/20 0.40
CA12 O43570 3/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
CA4 P22748 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDE4B Q07343 1/20 0.39
PTGES2 Q9H7Z7 1/20 0.38
DHFR P00374 1/20 0.38

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
SCHEMBL8100934 0.86 CA2 (0.44) PTGS1PTGS2CA2CA1CA9
SCHEMBL8091413 0.86 PTGS2 (0.56) PTGS1PTGS2CA2CA1CA9
SCHEMBL8101193 0.84 CA2 (0.43) PTGS1PTGS2CA2CA1CA9
SCHEMBL8100630 0.82 CA2 (0.44) PTGS1PTGS2CA2CA1CA9
SCHEMBL4575696 0.81 PTGS1 (0.56) PTGS1PTGS2CA2CA1CA9
SCHEMBL8098762 0.81 PTGS1 (0.45) PTGS1PTGS2CA2CA1CA9
SCHEMBL8479236 0.81 PTGS1 (0.44) PTGS1PTGS2CA2CA1CA9
SCHEMBL8092090 0.81 PTGS2 (0.44) PTGS1PTGS2CA2CA1CA9
SCHEMBL8098886 0.81 CA2 (0.46) CA2CA1CA9CA12CA4
SCHEMBL8101110 0.80 CA2 (0.44) PTGS1PTGS2CA2CA1CA9

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-0848703-B1 DERIVATIVES OF BENZOSULPHONAMIDES AS INHIBITORS OF THE ENZYME CYCLO-OXYGENASE II NYCOMED AUSTRIA GMBH (AT) 2000-09-27 EP disclosed
US-6004948-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS; SIDE EFFECT REDUCTION NYCOMED AUSTRIA GMBH (AT) 1999-12-21 US disclosed