SCHEMBL6258673

SCHEMBL6258673

CC(=O)Nc1nc(C)c(S(=O)(=O)NCCCOP(=O)(O)O)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORA P35398 1/20 0.42
RORC P51449 1/20 0.42
RORB Q92753 1/20 0.42
PIK3CD O00329 7/20 0.41
PIK3CG P48736 8/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
PIK3CA P42336 5/20 0.40
PIK3CB P42338 3/20 0.40
PIK3C3 Q8NEB9 2/20 0.40
PI4KB Q9UBF8 2/20 0.40
PIK3C2A O00443 1/20 0.40
PIK3C2B O00750 1/20 0.40
PI4KA P42356 1/20 0.40
PRKDC P78527 1/20 0.40
PIK3R1 P27986 1/20 0.37
BCL2 P10415 1/20 0.36
BCL2L1 Q07817 1/20 0.36
LCK P06239 1/20 0.35
GRM4 Q14833 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
SCHEMBL6260692 0.93 RORA (0.43) RORARORCRORBPIK3CDPIK3CG
SCHEMBL1715037 0.85 RORA (0.44) RORARORCRORBPIK3CDPIK3CG
SCHEMBL1715514 0.80 RORA (0.46) RORARORCRORBPIK3CDPIK3CG
SCHEMBL1939226 0.80 PIK3CG (0.56) RORARORCRORBPIK3CDPIK3CG
SCHEMBL12461333 0.80 RORA (0.49) RORARORCRORBPIK3CDPIK3CG
SCHEMBL12201045 0.77 RORA (0.51) RORARORCRORBPIK3CDPIK3CG
SCHEMBL1939916 0.76 RORA (0.49) RORARORCRORBPIK3CDPIK3CG
SCHEMBL12203600 0.76 RORA (0.49) RORARORCRORBPIK3CDPIK3CG
SCHEMBL12203598 0.76 RORA (0.51) RORARORCRORBPIK3CDPIK3CG
SCHEMBL6101006 0.76 RORA (0.50) RORARORCRORBPIK3CDPIK3CG

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-2005080406-A2 COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF JERINI AG (DE) 2005-09-01 WO claimed