SCHEMBL9953111

SCHEMBL9953111

CCOc1ncc(Br)cc1S(=O)(=O)Nc1ccc(F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 3/20 0.47
PIK3CG P48736 3/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 2/20 0.45
THRB P10828 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PIK3CA P42336 6/20 0.43
PIK3R1 P27986 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ACLY P53396 2/20 0.42
PIK3C3 Q8NEB9 1/20 0.42
MTOR P42345 3/20 0.41
ALPL P05186 1/20 0.41

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
SCHEMBL9953017 0.88 PI4KA (0.53) PI4KAPIK3CGLMNAPOLBPIK3CA
SCHEMBL30902109 0.88 PI4KA (0.53) PI4KAPIK3CGLMNAPOLBPIK3CA
SCHEMBL742722 0.86 PIK3CA (0.49) PI4KAPIK3CGPOLBPIK3CAPIK3R1
SCHEMBL16996896 0.80 ALPL (0.54) LMNAPOLBTHRBTSHRHSD17B10
SCHEMBL740363 0.80 MEN1 (0.61) LMNAPOLBTHRBTSHRHSD17B10
SCHEMBL9953341 0.79 ALPL (0.51) PI4KAPIK3CGLMNAPOLBTSHR
SCHEMBL16996888 0.79 PIK3C3 (0.60) PI4KAPIK3CGPOLBPIK3CAPIK3R1
SCHEMBL16996891 0.79 PIK3C3 (0.60) LMNAPOLBTHRBTSHRHSD17B10
SCHEMBL462714 0.77 PIK3CA (0.59) PI4KAPIK3CGPIK3CAPIK3R1MTOR
SCHEMBL30333881 0.77 PIK3CA (0.59) PI4KAPIK3CGPIK3CAPIK3R1MTOR

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