SCHEMBL9952979

SCHEMBL9952979

COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.53
CNR2 P34972 10/20 0.38
CNR1 P21554 7/20 0.38
PI4KB Q9UBF8 1/20 0.37
DGAT1 O75907 1/20 0.36
AAK1 Q2M2I8 1/20 0.35
PIK3R1 P27986 1/20 0.35
PIK3CA P42336 1/20 0.35
HIF1A Q16665 1/20 0.34
NAMPT P43490 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL9953313 0.96 ALPL (0.55) ALPLCNR2CNR1DGAT1AAK1
SCHEMBL23585583 0.91 ALPL (0.51) ALPLCNR2CNR1DGAT1AAK1
SCHEMBL9953817 0.84 ALPL (0.56) ALPLALDH1A1SMN1; SMN2HTT
SCHEMBL14317989 0.84 ALPL (0.59) ALPLDGAT1AAK1PIK3R1PIK3CA
SCHEMBL9954287 0.83 ALPL (0.55) ALPLALDH1A1SMN1; SMN2HTT
SCHEMBL9954766 0.82 ALPL (0.56) ALPLDGAT1PIK3CAALDH1A1SMN1; SMN2
SCHEMBL9953730 0.82 ALPL (0.57) ALPLDGAT1AAK1ALDH1A1SMN1; SMN2
SCHEMBL9953535 0.82 ALPL (0.57) ALPLDGAT1AAK1PIK3R1PIK3CA
SCHEMBL9955177 0.81 ALPL (0.56) ALPLDGAT1AAK1ALDH1A1SMN1; SMN2
SCHEMBL9954091 0.80 ALPL (0.61) ALPLDGAT1ALDH1A1SMN1; SMN2

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 2 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