SCHEMBL9953673

SCHEMBL9953673

COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)Nc1c(F)cccc1F

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.65
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CCR4 P51679 5/20 0.41
PIK3CA P42336 3/20 0.37
PIK3CD O00329 2/20 0.37
PIK3CB P42338 2/20 0.37
PIK3CG P48736 2/20 0.37
PIK3R1 P27986 1/20 0.37
PTGES2 Q9H7Z7 1/20 0.37
DGAT1 O75907 1/20 0.37
PIK3C3 Q8NEB9 1/20 0.36
PDGFRB P09619 2/20 0.36
KDR P35968 2/20 0.36
AAK1 Q2M2I8 1/20 0.36
SLC40A1 Q9NP59 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 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
SCHEMBL9954425 0.90 ALPL (0.61) ALPLGAASMN1; SMN2CCR4PIK3CA
SCHEMBL9955197 0.90 ALPL (0.66) ALPLGAASMN1; SMN2PIK3CAPIK3CD
SCHEMBL9953749 0.87 ALPL (0.67) ALPLKMT2ASMN1; SMN2PIK3CAPIK3CD
SCHEMBL9953632 0.85 ALPL (0.66) ALPLKMT2ASMN1; SMN2PIK3CAPIK3CD
SCHEMBL9953304 0.85 ALPL (0.71) ALPLKMT2ASMN1; SMN2PIK3CAPIK3CD
SCHEMBL10289041 0.85 ALPL (0.62) ALPLGAASMN1; SMN2PIK3CAPIK3CD
SCHEMBL9953892 0.85 ALPL (0.60) ALPLGAASMN1; SMN2PIK3CAPIK3CD
SCHEMBL798423 0.85 ALPL (0.76) ALPLGAAKMT2APIK3CAPIK3CD
SCHEMBL9954198 0.85 ALPL (0.62) ALPLKMT2APIK3CAPIK3CDPIK3CB
SCHEMBL9953720 0.85 ALPL (0.62) ALPLPIK3CAPIK3CDPIK3CBPIK3CG

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-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed