SCHEMBL789782

SCHEMBL789782

Nc1ncc(B(O)O)cc1S(=O)(=O)Nc1ccc(F)cc1F

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
PIK3CA P42336 4/20 0.52
ACLY P53396 3/20 0.46
THRB P10828 1/20 0.43
PIK3CD O00329 2/20 0.43
PIK3C3 Q8NEB9 2/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PIK3CB P42338 2/20 0.41
PI4KA P42356 1/20 0.40
PIK3CG P48736 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PDGFRB P09619 1/20 0.39
KDR P35968 1/20 0.39
PTGES2 Q9H7Z7 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
SCHEMBL9955040 0.83 PIK3CG (0.51) LMNAPIK3CAACLYPIK3CDPIK3C3
SCHEMBL740363 0.81 MEN1 (0.61) LMNAPIK3CAACLYTHRBPIK3CD
SCHEMBL16926674 0.77 PIK3C3 (0.58) PIK3CAPIK3C3
SCHEMBL25230896 0.74 PIK3CA (0.56) PIK3CAPIK3CDPIK3C3PIK3CBPI4KA
SCHEMBL29536997 0.74 PIK3CA (0.56) PIK3CAPIK3CDPIK3C3PIK3CBPI4KA
SCHEMBL9952995 0.73 LMNA (0.49) LMNAPIK3CAACLYTHRBPIK3CD
SCHEMBL16990927 0.73 PIK3C3 (0.81) PIK3CAPIK3C3
SCHEMBL29463837 0.71 LMNA (1.00) LMNAPIK3CAACLYTHRBPIK3CD
SCHEMBL18131006 0.71 LMNA (1.00) LMNAPIK3CAACLYTHRBPIK3CD
SCHEMBL15870075 0.71 ALOX5AP (0.41) ALDH1A1

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-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed