SCHEMBL6971922

SCHEMBL6971922

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

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.32
GLA P06280 1/20 0.31
HSP90B1 P14625 4/20 0.31
TRAP1 Q12931 2/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
LMNA P02545 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
SCHEMBL6960657 0.94 HSP90B1 (0.33) TLR8HSP90B1TRAP1HSP90AA1HSP90AB1
SCHEMBL7087529 0.94 HSP90B1 (0.32) TLR8GLAHSP90B1TRAP1HSP90AA1
SCHEMBL6967720 0.94 GLA (0.32) GLAHSP90B1TRAP1HSP90AA1HSP90AB1
SCHEMBL6973053 0.93 HSP90B1 (0.38) TLR8HSP90B1TRAP1HSP90AA1HSP90AB1
SCHEMBL6960577 0.92 GLA (0.31) GLAHSP90B1
SCHEMBL6966228 0.92 TLR8 (0.32) TLR8HSP90B1LMNA
SCHEMBL6970967 0.92 PSEN1 (0.35) TLR8HSP90B1TRAP1HSP90AA1HSP90AB1
SCHEMBL7082117 0.91 TLR8 (0.32) TLR8LMNA
SCHEMBL6972886 0.90 TLR8 (0.33) TLR8
SCHEMBL6973948 0.90 LMNA (0.42) LMNA

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