SCHEMBL798532

SCHEMBL798532

COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)Nc1cccc(C)c1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALPL P05186 6/20 0.68
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.44
PDGFRB P09619 1/20 0.43
KDR P35968 1/20 0.43
PIK3CD O00329 2/20 0.42
PIK3R1 P27986 2/20 0.42
PIK3CA P42336 2/20 0.42
PIK3CB P42338 2/20 0.42
PIK3CG P48736 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL10277403 0.90 ALPL (0.71) ALPLKMT2AMEN1ALDH1A1GAA
SCHEMBL798423 0.89 ALPL (0.76) ALPLKMT2AALDH1A1GAALMNA
SCHEMBL9954845 0.89 ALPL (0.67) ALPLKMT2AMEN1ALDH1A1LMNA
SCHEMBL9953749 0.89 ALPL (0.67) ALPLKMT2AALDH1A1LMNAPDGFRB
SCHEMBL798326 0.89 ALPL (0.69) ALPLKMT2AMEN1ALDH1A1GAA
SCHEMBL10277379 0.84 ALPL (0.69) ALPLALDH1A1GAALMNAPIK3CD
SCHEMBL9953632 0.84 ALPL (0.66) ALPLKMT2AMEN1ALDH1A1LMNA
SCHEMBL9952780 0.83 ALPL (0.68) ALPLKMT2AALDH1A1LMNAPIK3CD
SCHEMBL9953304 0.83 ALPL (0.71) ALPLKMT2AMEN1ALDH1A1LMNA
SCHEMBL9953673 0.83 ALPL (0.65) ALPLKMT2AGAAPDGFRBKDR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012174312-A2 BENZIMIDAZOLE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-12-20 WO disclosed
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed