SCHEMBL9434874

SCHEMBL9434874

CS(=O)(=O)Cl.CS(=O)(=O)N(c1cc2c(cc1Sc1nccs1)C(=O)CC2)S(C)(=O)=O

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.63
PTGS1 P23219 8/20 0.63

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
SCHEMBL9148275 0.97 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL9434920 0.80 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL6247997 0.78 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL9147076 0.75 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL8555406 0.61 PTGS1 (0.69) PTGS2PTGS1
SCHEMBL13815377 0.61 PTGS2 (0.38) PTGS2PTGS1
SCHEMBL8592711 0.61 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL10938366 0.58 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL6250229 0.57 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7114230 0.56 FBP1 (0.70)

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
WO-1994020480-A1 ALKANESULFONAMIDO-1-INDANONE DERIVATIVES AS INHIBITORS OF CYCLOOXYGENASE MERCK FROSST CANADA INC. (CA) 1994-09-15 WO disclosed