SCHEMBL791191

SCHEMBL791191

CNc1ncc(B2OC(C)(C)C(C)(C)O2)cc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.44
KDR P35968 2/20 0.44
ALPL P05186 1/20 0.43
SLC40A1 Q9NP59 4/20 0.40
PIK3CG P48736 5/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
CCR4 P51679 1/20 0.37
POLB P06746 1/20 0.37
CA12 O43570 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37

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
SCHEMBL790432 0.88 PIK3CA (0.45) PDGFRBKDRALPLSLC40A1PIK3CG
SCHEMBL9955288 0.86 PIK3CG (0.52) PDGFRBKDRALPLSLC40A1PIK3CG
SCHEMBL29555684 0.85 PIK3CD (0.57) PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL3115744 0.85 PIK3CD (0.57) PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL807318 0.84 SLC40A1 (0.38) PDGFRBKDRSLC40A1PIK3CGPIK3CD
SCHEMBL790824 0.83 ALPL (0.56) PDGFRBKDRALPLSLC40A1PIK3CG
SCHEMBL29556839 0.83 ALPL (0.56) PDGFRBKDRALPLSLC40A1PIK3CG
SCHEMBL789981 0.81 ALPL (0.48) PDGFRBKDRALPLSLC40A1PIK3CG
SCHEMBL791429 0.81 ALPL (0.47) PDGFRBKDRALPLSLC40A1PIK3CG
SCHEMBL14247499 0.78 POLB (0.55) PDGFRBKDRALPLPIK3CGCA1

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