SCHEMBL28022848

SCHEMBL28022848

O=S(=O)(NC1CCC(O)CC1)c1cc(Cl)c(-c2ccccc2)c(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 2/20 0.42
PDK2 Q15119 2/20 0.42
PDK3 Q15120 2/20 0.42
PDK4 Q16654 2/20 0.42
SFRP1 Q8N474 4/20 0.42
IDH2 P48735 4/20 0.41
WNT3 P56703 1/20 0.41
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
MTOR P42345 1/20 0.39
PIK3CG P48736 1/20 0.39
PIK3C3 Q8NEB9 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
SCHEMBL28022383 0.94 SFRP1 (0.44) PDK1PDK2PDK3PDK4SFRP1
SCHEMBL28022378 0.90 PDK1 (0.39) PDK1PDK2PDK3PDK4SFRP1
SCHEMBL2195206 0.76 CCR2 (0.46)
SCHEMBL2195213 0.76 CCR2 (0.46)
SCHEMBL28022895 0.76 MMP7 (0.40)
SCHEMBL28022345 0.73 PTGS2 (0.44)
SCHEMBL17393831 0.73
SCHEMBL17393829 0.73
SCHEMBL1723222 0.73 UCHL1 (0.54) IDH2PIK3CDPIK3CAPIK3CBMTOR
SCHEMBL1722677 0.72 KDM4E (0.56)

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
CN-105102449-A Antiviral compounds HOFFMANN LA ROCHE 2015-11-25 CN disclosed