SCHEMBL6970967

SCHEMBL6970967

CCCCCCn1c(CCCOC(N)=O)nc(C(C)C)c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 4/20 0.35
PSEN2 P49810 4/20 0.35
APH1B Q8WW43 4/20 0.35
NCSTN Q92542 4/20 0.35
APH1A Q96BI3 4/20 0.35
PSENEN Q9NZ42 4/20 0.35
HSP90B1 P14625 3/20 0.35
PPARG P37231 4/20 0.33
TP53 P04637 1/20 0.33
GCGR P47871 1/20 0.32
LMNA P02545 2/20 0.31
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TRAP1 Q12931 2/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
TLR8 Q9NR97 2/20 0.30
TLR7 Q9NYK1 1/20 0.30
KCNH2 Q12809 1/20 0.30
GAA P10253 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
SCHEMBL6973053 0.96 HSP90B1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8109378 0.95 HSP90B1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6960657 0.94 HSP90B1 (0.33) HSP90B1PPARGTRAP1HSP90AA1HSP90AB1
SCHEMBL6973160 0.92 HSP90B1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6971922 0.92 TLR8 (0.32) HSP90B1LMNATRAP1HSP90AA1HSP90AB1
SCHEMBL7085912 0.90 TP53 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6963219 0.90 HSP90B1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6966228 0.90 TLR8 (0.32) HSP90B1PPARGLMNATLR8
SCHEMBL6969613 0.89 PPARG (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6969197 0.88 HSP90B1 (0.32) HSP90B1TRAP1HSP90AA1HSP90AB1

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