SCHEMBL9953632

SCHEMBL9953632

COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)Nc1ccc(F)c(F)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 3/20 0.66
SLC22A12 Q96S37 1/20 0.41
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
THRB P10828 2/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
PIK3CD O00329 4/20 0.40
PIK3R1 P27986 4/20 0.40
PIK3CA P42336 4/20 0.40
PIK3CB P42338 4/20 0.40
PIK3CG P48736 4/20 0.40
PDGFRB P09619 3/20 0.40
KDR P35968 3/20 0.40
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA12 O43570 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
SCHEMBL9953304 0.90 ALPL (0.71) ALPLSLC22A12KMT2ALMNAMAPT
SCHEMBL9952780 0.88 ALPL (0.68) ALPLKMT2ALMNAALDH1A1HTT
SCHEMBL9953749 0.87 ALPL (0.67) ALPLKMT2ALMNAALDH1A1PIK3CD
SCHEMBL9954994 0.86 ALPL (0.66) ALPLPIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL798326 0.86 ALPL (0.69) ALPLKMT2ALMNAMEN1ALDH1A1
SCHEMBL10277379 0.86 ALPL (0.69) ALPLLMNAALDH1A1HTTPIK3CD
SCHEMBL9953673 0.85 ALPL (0.65) ALPLKMT2APIK3CDPIK3R1PIK3CA
SCHEMBL798423 0.85 ALPL (0.76) ALPLKMT2ALMNAALDH1A1PIK3CD
SCHEMBL9954198 0.85 ALPL (0.62) ALPLKMT2APIK3CDPIK3R1PIK3CA
SCHEMBL9954845 0.85 ALPL (0.67) ALPLKMT2ALMNAMEN1ALDH1A1

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