SCHEMBL8104909

SCHEMBL8104909

CS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1Oc1ccc(Cl)cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.64
PTGS2 P35354 4/20 0.64
SLC22A12 Q96S37 2/20 0.58
ALPL P05186 5/20 0.54
KMT2A Q03164 2/20 0.54
SCN9A Q15858 1/20 0.51
ALDH1A1 P00352 3/20 0.51
TSHR P16473 2/20 0.49
GAA P10253 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL8091852 0.81 MEN1 (0.57) PTGS1PTGS2SLC22A12KMT2ASCN9A
SCHEMBL8092102 0.81 PTGS1 (0.60) PTGS1PTGS2SLC22A12SCN9AALDH1A1
SCHEMBL8480176 0.81 PTGS1 (0.60) PTGS1PTGS2SLC22A12KMT2ASCN9A
SCHEMBL8099323 0.81 PGR (0.55) PTGS1PTGS2KMT2AALDH1A1TSHR
SCHEMBL8481953 0.80 PTGS1 (0.59) PTGS1PTGS2SLC22A12ALDH1A1MAPT
SCHEMBL8100691 0.79 PTGS1 (0.58) PTGS1PTGS2SLC22A12KMT2ASCN9A
SCHEMBL8091464 0.79 PTGS2 (0.62) PTGS1PTGS2KMT2AALDH1A1TSHR
SCHEMBL8104912 0.79 PTGS1 (0.57) PTGS1PTGS2KMT2ASCN9AALDH1A1
SCHEMBL8091401 0.78 PTGS1 (0.60) PTGS1PTGS2SCN9AALDH1A1GAA
SCHEMBL8476800 0.78 PTGS1 (0.57) PTGS1PTGS2SLC22A12KMT2ASCN9A

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
EP-0848703-B1 DERIVATIVES OF BENZOSULPHONAMIDES AS INHIBITORS OF THE ENZYME CYCLO-OXYGENASE II NYCOMED AUSTRIA GMBH (AT) 2000-09-27 EP disclosed