SCHEMBL8098896

SCHEMBL8098896

Nc1ccccc1Oc1ccc(SF)cc1SF

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
GAA P10253 2/20 0.40
RCE1 Q9Y256 1/20 0.40
ALDH1A1 P00352 3/20 0.38
ADRA2B P18089 1/20 0.36
PTGS1 P23219 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 3/20 0.34
CYP2C19 P33261 3/20 0.34
CYP3A4 P08684 2/20 0.34
TLR4 O00206 1/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CYP2C9 P11712 2/20 0.33
IKBKB O14920 1/20 0.33
BRAF P15056 1/20 0.33

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
SCHEMBL8107612 0.83 MAPT (0.42) MAPTKDM4ECRHBPCRHR2GAA
SCHEMBL8107205 0.77 GAA (0.40) MAPTKDM4ECRHBPCRHR2GAA
SCHEMBL8107837 0.76 L3MBTL1 (0.51) MAPTGAAALDH1A1TDP1MEN1
SCHEMBL30979203 0.72 KDM4E (0.65) MAPTKDM4ECRHBPCRHR2GAA
SCHEMBL29508342 0.72 KDM4E (0.65) MAPTKDM4ECRHBPCRHR2GAA
SCHEMBL81185 0.72 KDM4E (0.65) MAPTKDM4ECRHBPCRHR2GAA
SCHEMBL1363113 0.71 MAPT (0.50) MAPTKDM4ECRHBPCRHR2GAA
SCHEMBL1361220 0.70 KDM4E (0.62) MAPTKDM4ECRHBPCRHR2GAA
SCHEMBL6293125 0.70 KDM4E (0.62) MAPTKDM4ECRHBPCRHR2GAA
Hydrochloric Acid SCHEMBL11737056 0.70 KDM4E (0.62) MAPTKDM4ECRHBPCRHR2GAA

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