SCHEMBL6965310

SCHEMBL6965310

CC(C)c1nc(CCO)n(CF)c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 3/20 0.31
HSP90B1 P14625 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
SCHEMBL7084650 0.94 TLR8 (0.36) TLR8HSP90B1
SCHEMBL6961950 0.90 HSP90B1 (0.30) HSP90B1
SCHEMBL6967398 0.89 HSP90B1 (0.33) TLR8HSP90B1
SCHEMBL6961520 0.89 HSP90B1 (0.32) TLR8HSP90B1
SCHEMBL6974028 0.87 HSP90B1 (0.32) HSP90B1
SCHEMBL6961258 0.87 HSP90B1 (0.34) TLR8HSP90B1
SCHEMBL6973257 0.87
SCHEMBL6974248 0.87
SCHEMBL6962803 0.85 HSP90B1 (0.32) HSP90B1
SCHEMBL6972491 0.85 APLNR (0.33) HSP90B1

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