SCHEMBL6960577

SCHEMBL6960577

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

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.31
HSP90B1 P14625 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
SCHEMBL7087529 0.94 HSP90B1 (0.32) GLAHSP90B1
SCHEMBL6967720 0.94 GLA (0.32) GLAHSP90B1
SCHEMBL6971922 0.92 TLR8 (0.32) GLAHSP90B1
SCHEMBL7086755 0.92 GLA (0.32) GLAHSP90B1
SCHEMBL6967899 0.90 GLA (0.32) GLAHSP90B1
SCHEMBL6969197 0.88 HSP90B1 (0.32) HSP90B1
SCHEMBL6967297 0.88 GLA (0.31) GLA
SCHEMBL6960657 0.87 HSP90B1 (0.33) HSP90B1
SCHEMBL6973160 0.87 HSP90B1 (0.39) HSP90B1
SCHEMBL6969256 0.86 HSP90B1 (0.30) 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