SCHEMBL8107818

SCHEMBL8107818

COc1ccc(Nc2cc(S(N)(=O)=O)ccc2[N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 1/20 0.61
MAPT P10636 6/20 0.57
TDP1 Q9NUW8 4/20 0.57
MAPK1 P28482 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
ALDH1A1 P00352 1/20 0.57
POLB P06746 1/20 0.55
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
GAA P10253 1/20 0.53
HTT P42858 1/20 0.53
IDO1 P14902 1/20 0.53
FBP1 P09467 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
PSMD14 O00487 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
CA12 O43570 1/20 0.48

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
SCHEMBL11691652 0.90 ALDH3A1 (0.76) ALDH3A1MAPTTDP1MAPK1L3MBTL1
SCHEMBL4930929 0.85 MAPT (0.68) ALDH3A1MAPTTDP1MAPK1L3MBTL1
SCHEMBL8101084 0.81 MAPT (0.54) ALDH3A1MAPTTDP1ALDH1A1SMN1; SMN2
SCHEMBL2330319 0.80 MAPT (0.61) ALDH3A1MAPTTDP1MAPK1L3MBTL1
SCHEMBL8938805 0.80 MAPT (0.61) ALDH3A1MAPTTDP1MAPK1L3MBTL1
SCHEMBL4744863 0.80 MAPT (0.64) ALDH3A1MAPTTDP1MAPK1L3MBTL1
SCHEMBL14247245 0.80 MAPT (0.61) ALDH3A1MAPTTDP1MAPK1L3MBTL1
SCHEMBL2327024 0.79 MAPT (0.59) ALDH3A1MAPTTDP1MAPK1L3MBTL1
SCHEMBL20603932 0.79 MAPT (0.71) ALDH3A1MAPTTDP1MAPK1L3MBTL1
SCHEMBL29623803 0.79 MAPT (0.71) ALDH3A1MAPTTDP1MAPK1L3MBTL1

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