SCHEMBL789685

SCHEMBL789685

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.59
F2 P00734 4/20 0.39
FABP1 P07148 1/20 0.39
HCRTR2 O43614 2/20 0.39
PDGFRB P09619 1/20 0.39
KDR P35968 1/20 0.39
PIK3C3 Q8NEB9 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
PIK3CA P42336 2/20 0.38
PIK3CG P48736 2/20 0.38
PIK3CD O00329 1/20 0.38
PIK3R1 P27986 1/20 0.38
PIK3CB P42338 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
PIK3C2G O75747 2/20 0.37
DRD2 P14416 1/20 0.36

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
SCHEMBL790242 0.98 ALPL (0.58) ALPLF2FABP1HCRTR2PDGFRB
SCHEMBL10288689 0.88 ALPL (0.55) ALPLF2FABP1PIK3C3
SCHEMBL10277403 0.86 ALPL (0.71) ALPLALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL12474801 0.83 ALDH1A1 (0.45) ALPLF2FABP1PIK3C3ALDH1A1
SCHEMBL798532 0.82 ALPL (0.68) ALPLPDGFRBKDRALDH1A1SMN1; SMN2
SCHEMBL798423 0.82 ALPL (0.76) ALPLPDGFRBKDRALDH1A1PIK3CA
SCHEMBL9955131 0.80 FABP1 (0.44) ALPLF2FABP1PIK3C3ALDH1A1
SCHEMBL9953749 0.80 ALPL (0.67) ALPLPDGFRBKDRPIK3C3ALDH1A1
SCHEMBL9954845 0.80 ALPL (0.67) ALPLALDH1A1SMN1; SMN2PIK3CAPIK3CG
SCHEMBL798326 0.77 ALPL (0.69) ALPLPDGFRBKDRALDH1A1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed