SCHEMBL8091867

SCHEMBL8091867

CCNS(=O)(=O)c1ccc(NS(C)(=O)=O)c(Oc2ccc(Br)cc2Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
PTGS1 P23219 4/20 0.47
PTGS2 P35354 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
GLA P06280 1/20 0.44
CYP2C9 P11712 1/20 0.43
VCAM1 P19320 1/20 0.41
TSHR P16473 2/20 0.40
CYP19A1 P11511 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK1 P28482 1/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
ACLY P53396 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
SCHEMBL8091401 0.89 PTGS1 (0.60) ALDH1A1PTGS1PTGS2CYP2C9VCAM1
SCHEMBL8091369 0.85 ALDH1A1 (0.50) ALDH1A1PTGS1PTGS2CYP2C9VCAM1
SCHEMBL8588734 0.84 PTGS1 (0.47) ALDH1A1PTGS1PTGS2SMN1; SMN2GLA
SCHEMBL8104912 0.78 PTGS1 (0.57) ALDH1A1PTGS1PTGS2SMN1; SMN2CYP2C9
SCHEMBL8524909 0.78 PTGS1 (0.54) ALDH1A1PTGS1PTGS2SMN1; SMN2GLA
SCHEMBL8480176 0.76 PTGS1 (0.60) ALDH1A1PTGS1PTGS2CYP2C9TSHR
SCHEMBL8092102 0.76 PTGS1 (0.60) ALDH1A1PTGS1PTGS2CYP2C9LMNA
SCHEMBL8107816 0.76 PTGS1 (0.52) PTGS1PTGS2SMN1; SMN2GLAVCAM1
SCHEMBL8091464 0.76 PTGS2 (0.62) ALDH1A1PTGS1PTGS2SMN1; SMN2GLA
SCHEMBL8481953 0.75 PTGS1 (0.59) ALDH1A1PTGS1PTGS2CYP2C9LMNA

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 4 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
EP-0848703-A1 DERIVATIVES OF BENZOSULPHONAMIDES AS INHIBITORS OF THE ENZYME CYCLO-OXYGENASE II Nycomed Austria GmbH (AT) 1998-06-24 EP disclosed
WO-1997003953-A1 DERIVATIVES OF BENZOSULPHONAMIDES AS INHIBITORS OF THE ENZYME CYCLO-OXYGENASE II NYCOMED AUSTRIA GMBH (AT) 1997-02-06 WO disclosed