SCHEMBL7084484

SCHEMBL7084484

CCCCCCn1c(CCCO)nc(C(C)C)c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90B1 P14625 4/20 0.37
GCGR P47871 5/20 0.36
TLR7 Q9NYK1 1/20 0.35
TRAP1 Q12931 2/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
TLR8 Q9NR97 4/20 0.34
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33
APH1B Q8WW43 2/20 0.33
NCSTN Q92542 2/20 0.33
APH1A Q96BI3 2/20 0.33
PSENEN Q9NZ42 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
TP53 P04637 1/20 0.32

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
SCHEMBL7079137 0.96 HSP90B1 (0.41) HSP90B1GCGRTLR7TRAP1HSP90AA1
SCHEMBL7080973 0.95 HSP90B1 (0.38) HSP90B1GCGRTLR7TRAP1HSP90AA1
SCHEMBL7084131 0.93 TLR8 (0.35) HSP90B1GCGRTRAP1HSP90AA1HSP90AB1
SCHEMBL6974129 0.90 HSP90B1 (0.41) HSP90B1GCGRTRAP1HSP90AA1HSP90AB1
SCHEMBL7081625 0.90 HSP90B1 (0.39) HSP90B1GCGRTRAP1HSP90AA1HSP90AB1
SCHEMBL6965783 0.90 HSP90B1 (0.39) HSP90B1GCGRTRAP1HSP90AA1HSP90AB1
SCHEMBL6962002 0.90 TLR8 (0.36) HSP90B1TRAP1HSP90AA1HSP90AB1TLR8
SCHEMBL6962650 0.88 TLR7 (0.35) GCGRTLR7TLR8HDAC1HDAC8
SCHEMBL6968701 0.88 TLR8 (0.36) HSP90B1GCGRTRAP1HSP90AA1HSP90AB1
SCHEMBL6973789 0.88 GCGR (0.35) GCGRTLR7HDAC1HDAC8TP53

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 3 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
EP-0786455-A1 IMIDAZOLE DERIVATIVE SHIONOGI & CO., LTD. (JP) 1997-07-30 EP disclosed