SCHEMBL798867

SCHEMBL798867

COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1NS(=O)(=O)CF

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.48
AAK1 Q2M2I8 1/20 0.39
DGAT1 O75907 1/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
PIK3CD O00329 8/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
PIK3CA P42336 5/20 0.34
PIK3CB P42338 3/20 0.34
PIK3CG P48736 3/20 0.34

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
SCHEMBL14860356 0.91 ALPL (0.53) ALPLAAK1DGAT1CA12CA1
SCHEMBL789976 0.88 ALPL (0.46) ALPLAAK1DGAT1CA12CA1
SCHEMBL789687 0.86 ALPL (0.47) ALPLAAK1DGAT1CA12CA1
SCHEMBL109782 0.85 ALPL (0.52) ALPLPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL791103 0.84 ALPL (0.48) ALPLAAK1DGAT1CA12CA1
SCHEMBL789432 0.84 ALPL (0.52) ALPLDGAT1PIK3CGPDGFRBKDR
SCHEMBL789960 0.81 ALPL (0.48) ALPLAAK1PIK3CDPIK3CAPIK3CB
SCHEMBL15559069 0.80 ALPL (0.52) ALPLPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL30333200 0.80 ALPL (0.48) ALPLPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL22447638 0.80 ALPL (0.49) ALPLPIK3CDPIK3CAPIK3CBPIK3CG

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
EP-2616468-A1 FUSED HETEROARYLS AND THEIR USES Hutchison Medipharma Limited (CN) 2013-07-24 EP disclosed
WO-2012034526-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2012-03-22 WO disclosed