SCHEMBL8091464

SCHEMBL8091464

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.62
PTGS1 P23219 7/20 0.62
CCR2 P41597 2/20 0.46
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
CYP19A1 P11511 2/20 0.41
CYP2C9 P11712 2/20 0.40
SLC6A2 P23975 3/20 0.40
SLC6A3 Q01959 3/20 0.40
LMNA P02545 3/20 0.40
ADORA3 P0DMS8 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
TBXA2R P21731 2/20 0.40
AGTR1 P30556 2/20 0.40
SLC6A4 P31645 2/20 0.40
TTR P02766 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
MLNR O43193 1/20 0.40

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
SCHEMBL8107162 0.89 PTGS1 (0.61) PTGS2PTGS1CCR2ALDH1A1TP53
SCHEMBL8101589 0.89 PTGS2 (0.61) PTGS2PTGS1CCR2ALDH1A1TP53
Hydrochloric Acid SCHEMBL8481799 0.88 PTGS2 (0.60) PTGS2PTGS1CCR2ALDH1A1TP53
SCHEMBL8480176 0.88 PTGS1 (0.60) PTGS2PTGS1CCR2ALDH1A1TP53
SCHEMBL8092102 0.88 PTGS1 (0.60) PTGS2PTGS1CCR2ALDH1A1TP53
SCHEMBL8091401 0.87 PTGS1 (0.60) PTGS2PTGS1CCR2ALDH1A1TP53
SCHEMBL8481953 0.86 PTGS1 (0.59) PTGS2PTGS1CCR2ALDH1A1TP53
SCHEMBL8099550 0.86 PTGS1 (0.59) PTGS2PTGS1CCR2ALDH1A1TP53
SCHEMBL8100691 0.85 PTGS1 (0.58) PTGS2PTGS1CCR2ALDH1A1TP53
Methylamine SCHEMBL8479365 0.85 PTGS2 (0.58) PTGS2PTGS1CCR2ALDH1A1TP53

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