SCHEMBL9953341

SCHEMBL9953341

CCOc1ncc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)Nc1ccc(F)cc1F

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.51
PIK3CG P48736 4/20 0.42
PI4KA P42356 3/20 0.42
POLB P06746 2/20 0.42
LMNA P02545 1/20 0.41
PIK3CA P42336 8/20 0.41
PIK3R1 P27986 3/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CB P42338 1/20 0.41
MTOR P42345 4/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PI4KB Q9UBF8 1/20 0.38
AXL P30530 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL9953720 0.90 ALPL (0.62) ALPLPIK3CGPI4KAPOLBPIK3CA
SCHEMBL798076 0.89 ALPL (0.47) ALPLPIK3CGPI4KAPIK3CAPIK3R1
SCHEMBL9952995 0.84 LMNA (0.49) ALPLPOLBLMNAPIK3CAPIK3CD
SCHEMBL22447713 0.84 PIK3CA (0.47) ALPLPIK3CGPIK3CAPIK3R1PIK3CD
SCHEMBL9954198 0.82 ALPL (0.62) ALPLPIK3CGPI4KAPOLBPIK3CA
SCHEMBL29556110 0.81 ALPL (0.55) ALPLPIK3CGPI4KAPIK3CAPIK3R1
SCHEMBL110313 0.81 ALPL (0.55) ALPLPIK3CGPI4KAPIK3CAPIK3R1
SCHEMBL29434933 0.81 ALPL (0.55) ALPLPIK3CGPI4KAPIK3CAPIK3R1
SCHEMBL9953111 0.79 PI4KA (0.47) ALPLPIK3CGPI4KAPOLBLMNA
SCHEMBL9955197 0.79 ALPL (0.66) ALPLPIK3CGPI4KAPOLBPIK3CA

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