SCHEMBL6974059

SCHEMBL6974059

CC(C)c1nc(CCCO)n(C(C)C)c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 14/20 0.37
HSP90B1 P14625 5/20 0.32
TRAP1 Q12931 2/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
GCGR P47871 1/20 0.31

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
SCHEMBL6974008 0.93 HSP90B1 (0.32) TLR8HSP90B1
SCHEMBL8507017 0.88 TLR8 (0.34) TLR8HSP90B1
SCHEMBL6966795 0.88 HSP90B1 (0.33) HSP90B1GCGR
SCHEMBL6970688 0.87 TLR8 (0.31) TLR8
SCHEMBL6976442 0.87 TLR8 (0.38) TLR8HSP90B1TRAP1HSP90AA1HSP90AB1
SCHEMBL6967866 0.86
SCHEMBL6968701 0.85 TLR8 (0.36) TLR8HSP90B1TRAP1HSP90AA1HSP90AB1
SCHEMBL6962002 0.85 TLR8 (0.36) TLR8HSP90B1TRAP1HSP90AA1HSP90AB1
SCHEMBL7084650 0.85 TLR8 (0.36) TLR8HSP90B1TRAP1HSP90AA1HSP90AB1
SCHEMBL6961540 0.83 TLR8 (0.33) TLR8

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