SCHEMBL6972491

SCHEMBL6972491

C=CCn1c(CCO)nc(C(C)C)c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HSP90B1 P14625 1/20 0.31
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
PPARG P37231 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
LMNA P02545 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL6974118 0.94 TLR8 (0.34) APLNRTDP1HSP90B1GAAMAPT
SCHEMBL6965321 0.91 APLNR (0.34) APLNRTDP1HSP90B1TP53GAA
SCHEMBL7086390 0.88 APLNR (0.34) APLNRTDP1LMNA
SCHEMBL6962524 0.87 APLNR (0.33) APLNRTDP1LMNA
SCHEMBL6967398 0.86 HSP90B1 (0.33) HSP90B1
SCHEMBL6961520 0.86 HSP90B1 (0.32) HSP90B1
SCHEMBL6965310 0.85 TLR8 (0.31) HSP90B1
SCHEMBL6961258 0.84 HSP90B1 (0.34) HSP90B1MAPTHTTALDH1A1
SCHEMBL7081212 0.84 ALDH1A1 (0.34) APLNRTDP1GAAALDH1A1
SCHEMBL6964209 0.82 ALDH1A1 (0.33) APLNRTDP1GAAHTTLMNA

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