SCHEMBL8107837

SCHEMBL8107837

O=[N+]([O-])c1ccccc1Oc1ccc(SF)cc1SF

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.51
HPGD P15428 1/20 0.51
HSPB1 P04792 4/20 0.48
ALDH1A1 P00352 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
NPC1 O15118 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44
ESR2 Q92731 1/20 0.43
GAA P10253 1/20 0.42
POLB P06746 2/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.39
CCR6 P51684 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
MEN1 O00255 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL8101216 0.84 HPGD (0.66) L3MBTL1HPGDHSPB1ALDH1A1TDP1
SCHEMBL8107208 0.82 HPGD (0.54) L3MBTL1HPGDHSPB1ALDH1A1TDP1
SCHEMBL39472 0.78 HPGD (0.78) L3MBTL1HPGDHSPB1ALDH1A1TDP1
SCHEMBL945834 0.77 HPGD (0.62) L3MBTL1HPGDHSPB1ALDH1A1TDP1
SCHEMBL8098896 0.76 MAPT (0.43) ALDH1A1TDP1GAAMAPTNPSR1
SCHEMBL28056476 0.76 L3MBTL1 (0.81) L3MBTL1HPGDHSPB1ALDH1A1TDP1
SCHEMBL1340948 0.74 L3MBTL1 (0.63) L3MBTL1HPGDHSPB1ALDH1A1TDP1
SCHEMBL1341961 0.73 HSPB1 (0.75) L3MBTL1HPGDHSPB1ALDH1A1TDP1
SCHEMBL1340459 0.72 HSPB1 (0.71) L3MBTL1HPGDHSPB1ALDH1A1TDP1
SCHEMBL28219324 0.71 L3MBTL1 (0.62) L3MBTL1HPGDHSPB1ALDH1A1TDP1

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