SCHEMBL6969225

SCHEMBL6969225

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

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NOD2 Q9HC29 1/20 0.33
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
HTR7 P34969 1/20 0.32
HTR6 P50406 1/20 0.32
TERT O14746 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
SCHEMBL6162368 0.88 DRD2 (0.32) DRD2HTR2AHTR7HTR6
SCHEMBL6967902 0.87 NPSR1 (0.39) MAPTHTTSMN1; SMN2NPSR1NOD2
SCHEMBL6973184 0.86 DRD2 (0.32) DRD2HTR2AHTR7HTR6
SCHEMBL6974766 0.85 MAPT (0.34) MAPTHTTSMN1; SMN2NPSR1
SCHEMBL6974360 0.84
SCHEMBL6969836 0.83 HSP90B1 (0.32)
SCHEMBL7086393 0.83 KDM4E (0.36) DRD2HTR2AHTR7HTR6
SCHEMBL7086394 0.83 KDM4E (0.36) DRD2HTR2AHTR7HTR6
SCHEMBL6964200 0.81 MAPT (0.37) MAPTHTTSMN1; SMN2NPSR1NOD2
SCHEMBL6966628 0.80 DRD2 (0.34) DRD2HTR2AHTR7HTR6

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