SCHEMBL8673254

SCHEMBL8673254

Nc1nc(Cl)c2[nH]c(=O)n(CCCCO)c2n1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 14/20 0.52
HSP90B1 P14625 10/20 0.52
HSP90AA1 P07900 5/20 0.50
TLR7 Q9NYK1 4/20 0.38
TK1 P04183 1/20 0.38
ADORA2A P29274 1/20 0.37

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
SCHEMBL23629388 0.96 TRAP1 (0.53) TRAP1HSP90B1HSP90AA1ADORA2A
SCHEMBL872294 0.90 TRAP1 (0.55) TRAP1HSP90B1HSP90AA1TLR7ADORA2A
SCHEMBL5173890 0.84 TRAP1 (0.53) TRAP1HSP90B1HSP90AA1TLR7ADORA2A
SCHEMBL23991310 0.83 TLR7 (0.46) TRAP1HSP90B1HSP90AA1TLR7ADORA2A
SCHEMBL23991311 0.81 ALDH1A1 (0.39) TRAP1HSP90B1HSP90AA1ADORA2A
SCHEMBL4551932 0.74 TRAP1 (0.54) TRAP1HSP90B1HSP90AA1ADORA2A
SCHEMBL8668697 0.71 HTT (0.37) TK1ADORA2A
SCHEMBL23629397 0.70 TRAP1 (0.43) TRAP1HSP90B1HSP90AA1TLR7ADORA2A
SCHEMBL29723515 0.69 TRAP1 (0.43) TRAP1HSP90B1HSP90AA1TLR7ADORA2A
SCHEMBL23498154 0.69 TRAP1 (0.43) TRAP1HSP90B1HSP90AA1TLR7ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5786359-A IMMUNOSTIMULANTS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-07-28 US disclosed