SCHEMBL4880529

SCHEMBL4880529

COC(C)c1nc2c(N)ncc(C)c2n1CCCCCS(=O)(=O)Nc1ccc(Cl)cc1Cl

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90B1 P14625 7/20 0.33
HSP90AA1 P07900 2/20 0.33
TRAP1 Q12931 2/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
SLC40A1 Q9NP59 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGES2 Q9H7Z7 4/20 0.31
BRD4 O60885 1/20 0.30

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
SCHEMBL4876737 0.87 PTGES2 (0.31) HSP90B1HSP90AA1TRAP1PTGES2
SCHEMBL4795249 0.86 HSP90B1 (0.38) HSP90B1HSP90AA1TRAP1SLC40A1KMT2A
SCHEMBL4794260 0.85 HSP90B1 (0.38) HSP90B1HSP90AA1TRAP1SLC40A1KMT2A
SCHEMBL4880536 0.84 TLR7 (0.35) HSP90B1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4793669 0.83 HSP90B1 (0.39) HSP90B1HSP90AA1TRAP1SLC40A1KMT2A
SCHEMBL4880838 0.82 TLR7 (0.35) HSP90B1HSP90AA1PIK3CDPIK3CAPIK3CB
SCHEMBL4791683 0.81
SCHEMBL4790940 0.80
SCHEMBL4792710 0.80 HSP90B1 (0.40) HSP90B1HSP90AA1TRAP1
SCHEMBL4883812 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513524-A4 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES CO (US) 2008-09-03 EP disclosed
EP-1513524-A2 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M Innovative Properties Company (US) 2005-03-16 EP disclosed
WO-2003103584-A2 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-12-18 WO disclosed