SCHEMBL8107612

SCHEMBL8107612

Nc1ccccc1Oc1ccc(SF)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
GAA P10253 3/20 0.39
RCE1 Q9Y256 1/20 0.39
CYP2C9 P11712 1/20 0.38
SLC6A2 P23975 4/20 0.38
SLC6A3 Q01959 4/20 0.38
SLC6A4 P31645 3/20 0.38
ALDH1A1 P00352 3/20 0.37
AR P10275 1/20 0.36
ADRA2B P18089 1/20 0.35
PTGS1 P23219 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL8098896 0.83 MAPT (0.43) MAPTKDM4ECRHBPCRHR2CYP1A2
SCHEMBL3045884 0.80 SLC6A2 (0.55) MAPTKDM4ECRHBPCRHR2CYP1A2
SCHEMBL641111 0.78 CYP2C9 (0.56) MAPTKDM4ECYP1A2CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL2884722 0.77 CYP2C9 (0.54) MAPTKDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL8101216 0.77 HPGD (0.66) MAPTGAAALDH1A1TDP1LMNA
SCHEMBL3057422 0.76 ALDH1A1 (0.42) MAPTKDM4ECRHBPCRHR2CYP1A2
SCHEMBL30379539 0.75 TSHR (0.54) MAPTKDM4ECRHBPCRHR2CYP1A2
SCHEMBL9266509 0.75 TSHR (0.54) MAPTKDM4ECRHBPCRHR2CYP1A2
SCHEMBL9373632 0.75 CYP1A2 (0.62) MAPTKDM4ECRHBPCRHR2CYP1A2
SCHEMBL9629052 0.74 GAA (0.47) MAPTKDM4ECRHBPCRHR2CYP1A2

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