SCHEMBL4786322

SCHEMBL4786322

O=S(=O)(c1ccc(Sc2cccc3cccnc23)c2nonc12)N1CCC(O)(c2cccc(Cl)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKLR P30613 3/20 0.45
CCR1 P32246 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
NAMPT P43490 1/20 0.41
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GLRA3 O75311 1/20 0.40
GLRB P48167 1/20 0.40
GAA P10253 2/20 0.38
MAPK1 P28482 2/20 0.38
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FABP1 P07148 1/20 0.38
MAPT P10636 2/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL4786573 0.92 CCR1 (0.43) CCR1L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL4788589 0.91 PKLR (0.45) PKLRL3MBTL1ALDH1A1GAAMAPK1
SCHEMBL4787598 0.90 PKLR (0.48) PKLRL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL4788077 0.87 PKLR (0.47) PKLRL3MBTL1ALDH1A1GAA
SCHEMBL4786465 0.87 PKLR (0.47) PKLRCCR1L3MBTL1ALDH1A1MEN1
SCHEMBL8150778 0.85 L3MBTL1 (0.41) PKLRL3MBTL1ALDH1A1GAAMAPK1
SCHEMBL4786353 0.85 ALDH1A1 (0.49) PKLRL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL4787288 0.83 PKLR (0.48) PKLRL3MBTL1ALDH1A1GAAFABP1
SCHEMBL8152661 0.81 L3MBTL1 (0.41) L3MBTL1ALDH1A1GAAMAPK1HTT
SCHEMBL8155705 0.81 L3MBTL1 (0.41) L3MBTL1ALDH1A1GAAMAPK1HTT

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