SCHEMBL4787598

SCHEMBL4787598

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

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PKLR P30613 8/20 0.48
FABP1 P07148 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
TP53 P04637 1/20 0.40
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL4786465 0.92 PKLR (0.47) PKLRFABP1L3MBTL1HTR2AHTR2C
SCHEMBL4788589 0.91 PKLR (0.45) PKLRFABP1L3MBTL1ALDH1A1GAA
SCHEMBL4786322 0.90 PKLR (0.45) PKLRFABP1L3MBTL1ALDH1A1GAA
SCHEMBL4786573 0.87 CCR1 (0.43) L3MBTL1ALDH1A1GAAMEN1KMT2A
SCHEMBL4787288 0.86 PKLR (0.48) PKLRFABP1L3MBTL1ALDH1A1GAA
SCHEMBL4786353 0.85 ALDH1A1 (0.49) PKLRL3MBTL1ALDH1A1GAAMEN1
SCHEMBL8155705 0.85 L3MBTL1 (0.41) FABP1L3MBTL1HTR2AHTR2CALDH1A1
SCHEMBL4788077 0.83 PKLR (0.47) PKLRL3MBTL1ALDH1A1GAA
SCHEMBL8152556 0.83 L3MBTL1 (0.39) FABP1L3MBTL1HTR2AHTR2CALDH1A1
SCHEMBL8152661 0.81 L3MBTL1 (0.41) FABP1L3MBTL1ALDH1A1GAA

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 1 patent. 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