SCHEMBL6964428

SCHEMBL6964428

CC(C)c1nc(CCCOC(N)=O)n(C)c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.33
LMNA P02545 1/20 0.32
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
HSP90B1 P14625 1/20 0.30
TRAP1 Q12931 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
SCHEMBL6967111 0.94 HSP90B1 (0.31) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL6969465 0.90 MAOB (0.38) TLR8LMNA
SCHEMBL6971922 0.90 TLR8 (0.32) TLR8LMNAHSP90AA1HSP90AB1HSP90B1
SCHEMBL6968317 0.89
SCHEMBL6961540 0.89 TLR8 (0.33) TLR8LMNA
SCHEMBL7085901 0.89 LMNA (0.32) LMNA
SCHEMBL6960657 0.88 HSP90B1 (0.33) TLR8HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL6966228 0.88 TLR8 (0.32) TLR8LMNAHSP90B1
SCHEMBL6972317 0.88 LMNA (0.32) LMNA
SCHEMBL6973053 0.88 HSP90B1 (0.38) TLR8LMNAHSP90AA1HSP90AB1HSP90B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0786455-B1 IMIDAZOLE DERIVATIVE SHIONOGI & CO (JP) 2003-12-03 EP disclosed
US-6147097-A METHOD FOR TREATING AIDS SHIONOGI & CO., LTD. (JP) 2000-11-14 US disclosed
US-5910506-A IMIDAZOLE DERIVATIVES, E.G.5-(3,5-DICHLOROPHENYLTHIO)-1,2-DIMETHYL-4-ISOPROPYL-1H-IMIDAZOLE; VIRICIDES; AIDS; NONTOXIC SHIONOGI & CO., LTD. (JP) 1999-06-08 US disclosed
EP-0786455-A1 IMIDAZOLE DERIVATIVE SHIONOGI & CO., LTD. (JP) 1997-07-30 EP disclosed