SCHEMBL4786465

SCHEMBL4786465

O=S(=O)(c1ccc(Sc2cccc3cccnc23)c2nonc12)N1CCC(O)(c2ccc(F)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKLR P30613 4/20 0.47
FABP1 P07148 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.42
KCNT2 Q6UVM3 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 3/20 0.40
CCR1 P32246 1/20 0.40
MAPK1 P28482 1/20 0.40
HTR2A P28223 2/20 0.39
HTR2C P28335 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HTT P42858 2/20 0.39
RAB9A P51151 2/20 0.39
HTR1A P08908 1/20 0.39
THRB P10828 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
XBP1 P17861 1/20 0.39

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
SCHEMBL4788589 0.92 PKLR (0.45) PKLRFABP1L3MBTL1MAPTMAPK1
SCHEMBL4787598 0.92 PKLR (0.48) PKLRFABP1L3MBTL1MEN1KMT2A
SCHEMBL4786573 0.92 CCR1 (0.43) L3MBTL1MEN1KMT2AMAPTCCR1
SCHEMBL4786353 0.89 ALDH1A1 (0.49) PKLRL3MBTL1MEN1KMT2AMAPT
SCHEMBL4787288 0.87 PKLR (0.48) PKLRFABP1L3MBTL1ALDH1A1GAA
SCHEMBL4786322 0.87 PKLR (0.45) PKLRFABP1L3MBTL1MEN1KMT2A
SCHEMBL8155705 0.86 L3MBTL1 (0.41) FABP1L3MBTL1MAPTMAPK1HTR2A
SCHEMBL4788077 0.85 PKLR (0.47) PKLRL3MBTL1ALDH1A1GAA
SCHEMBL8152556 0.84 L3MBTL1 (0.39) FABP1L3MBTL1MAPK1HTR2AHTR2C
SCHEMBL8152661 0.83 L3MBTL1 (0.41) FABP1L3MBTL1MAPK1ALDH1A1KDM4E

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