SCHEMBL4787844

SCHEMBL4787844

O=S(=O)(c1cccc2cccnc12)c1ccc(S(=O)(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)c2nonc12

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 3/20 0.48
TSHR P16473 2/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CCR1 P32246 5/20 0.48
ALDH1A1 P00352 3/20 0.46
GAA P10253 1/20 0.45
FABP1 P07148 1/20 0.44
GFER P55789 1/20 0.44
PKLR P30613 2/20 0.44

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
SCHEMBL4785450 0.91 CCR1 (0.46) L3MBTL1MAPTTSHRALOX15MAPK1
SCHEMBL4788145 0.88 CCR1 (0.43) L3MBTL1MAPTTSHRALOX15MAPK1
SCHEMBL4786573 0.88 CCR1 (0.43) L3MBTL1MAPTTSHRALOX15MAPK1
SCHEMBL4807717 0.88 MAPT (0.48) L3MBTL1MAPTTSHRALOX15MAPK1
SCHEMBL4785395 0.82 MAPT (0.55) MAPTTSHRMAPK1HTTSMN1; SMN2
SCHEMBL4788034 0.81 ALDH1A1 (0.59) MAPTMAPK1CCR1ALDH1A1
SCHEMBL4786322 0.79 PKLR (0.45) L3MBTL1MAPTTSHRALOX15MAPK1
SCHEMBL4788589 0.79 PKLR (0.45) L3MBTL1MAPTMAPK1ALDH1A1GAA
SCHEMBL8156622 0.79 EPHX2 (0.47) L3MBTL1MAPTTSHRALOX15MAPK1
SCHEMBL4786465 0.79 PKLR (0.47) L3MBTL1MAPTMAPK1HTTSMN1; SMN2

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
WO-2008115259-A2 DERIVATIVES OF BENZOXADIAZOLE SUITABLE FOR THE TREATMENT OF CELL PROLIFERATIVE DISEASES RIGEL PHARMACEUTICALS, INC. (US) 2008-09-25 WO claimed
WO-2008115259-A2 DERIVATIVES OF BENZOXADIAZOLE SUITABLE FOR THE TREATMENT OF CELL PROLIFERATIVE DISEASES RIGEL PHARMACEUTICALS, INC. (US) 2008-09-25 WO disclosed