SCHEMBL6161292

SCHEMBL6161292

CCCCCCCCOC(C)(C)OCCc1nc(C(C)C)c(Sc2cc(Cl)cc(Cl)c2)n1C

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSP90B1 P14625 1/20 0.32
GCGR P47871 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
SCHEMBL6165086 0.87
SCHEMBL6163024 0.81
SCHEMBL6161430 0.78
SCHEMBL6160472 0.77 HSP90B1 (0.31) HSP90B1
SCHEMBL7085593 0.77 HSP90B1 (0.37) HSP90B1GCGR
SCHEMBL6165530 0.77 HSP90B1 (0.30) HSP90B1
SCHEMBL6161197 0.77 HSP90B1 (0.30) HSP90B1
SCHEMBL6165076 0.77 HSP90B1 (0.32) HSP90B1
SCHEMBL6963069 0.76 HSP90B1 (0.34) HSP90B1GCGR
SCHEMBL6160699 0.74

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-0893442-B1 LYMPH-ABSORBABLE IMIDAZOLE DERIVATIVES SHIONOGI & CO (JP) 2005-01-12 EP disclosed
US-6054591-A LYMPHOTROPIC ANTI-AIDS AGENT SHIONOGI & CO., LTD. (JP) 2000-04-25 US disclosed
EP-0893442-A1 LYMPH-ABSORBABLE IMIDAZOLE DERIVATIVES SHIONOGI & CO., LTD. (JP) 1999-01-27 EP disclosed