SCHEMBL6969632

SCHEMBL6969632

CC(C)c1nc(CC#N)n(C)c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSP90B1 P14625 7/20 0.37
TRAP1 Q12931 3/20 0.37
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
HTR7 P34969 1/20 0.31
HTR6 P50406 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
SCHEMBL7087586 0.88 MEN1 (0.45) MEN1KMT2ANPSR1TDP1L3MBTL1
SCHEMBL6967284 0.86 HSP90B1 (0.35) HSP90B1TRAP1
SCHEMBL6162374 0.85 HSP90B1 (0.32) HSP90B1TRAP1HSP90AA1HSP90AB1DRD2
SCHEMBL6963215 0.85 HSP90B1 (0.32) HSP90B1TRAP1HSP90AA1HSP90AB1DRD2
SCHEMBL6967933 0.85 HSP90B1 (0.33) HSP90B1TRAP1HSP90AA1HSP90AB1DRD2
SCHEMBL6962089 0.85
SCHEMBL6961212 0.84 HSP90B1 (0.34) HSP90B1TRAP1HSP90AA1HSP90AB1DRD2
SCHEMBL6163272 0.84 HSP90B1 (0.33) HSP90B1TRAP1HSP90AA1HSP90AB1DRD2
SCHEMBL6962129 0.84 HSP90B1 (0.32) HSP90B1TRAP1HSP90AA1HSP90AB1DRD2
SCHEMBL6957982 0.83 HSP90B1 (0.31) HSP90B1TRAP1HSP90AA1HSP90AB1DRD2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6147097-A METHOD FOR TREATING AIDS SHIONOGI & CO., LTD. (JP) 2000-11-14 US claimed
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