SCHEMBL9952833

SCHEMBL9952833

COc1ncccc1S(=O)(=O)Nc1ccc(F)cc1F

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.54
PIK3CA P42336 7/20 0.50
MTOR P42345 6/20 0.50
POLB P06746 3/20 0.50
AXL P30530 2/20 0.50
PI4KA P42356 3/20 0.49
PIK3CG P48736 3/20 0.49
LMNA P02545 1/20 0.48
ACLY P53396 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PIK3C3 Q8NEB9 1/20 0.47
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL30181104 0.86 SLC22A12 (0.64) SLC22A12PIK3CAPOLBACLYALDH1A1
SCHEMBL14247317 0.82 HTT (0.54) SLC22A12LMNAALDH1A1
SCHEMBL25407193 0.81 SLC22A12 (0.55) SLC22A12PIK3CAPOLBACLYALDH1A1
SCHEMBL30902109 0.81 PI4KA (0.53) PIK3CAMTORPOLBPI4KAPIK3CG
SCHEMBL9953017 0.81 PI4KA (0.53) PIK3CAMTORPOLBPI4KAPIK3CG
SCHEMBL30504937 0.81 SLC22A12 (0.55) SLC22A12PIK3CAPOLBACLYALDH1A1
SCHEMBL9955040 0.78 PIK3CG (0.51) PIK3CAMTORPOLBPI4KAPIK3CG
SCHEMBL9954267 0.74 SLC22A12 (0.55) SLC22A12PIK3CAPOLBPIK3CGALDH1A1
SCHEMBL12459539 0.74 TSHR (0.54) POLBAXLLMNAACLYTSHR
SCHEMBL21545956 0.74 DYRK1A (0.52) PIK3CAPOLBPIK3CGLMNAACLY

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