SCHEMBL6967284

SCHEMBL6967284

CCn1c(CC#N)nc(C(C)C)c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSP90B1 P14625 5/20 0.35
TRAP1 Q12931 1/20 0.35

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
SCHEMBL6973627 0.89 MEN1 (0.40)
SCHEMBL6969632 0.86 HSP90B1 (0.37) HSP90B1TRAP1
SCHEMBL6967795 0.86 ALDH1A1 (0.33)
SCHEMBL6974439 0.85 KCNH2 (0.33) HSP90B1TRAP1
SCHEMBL6976137 0.84 HSP90B1 (0.32) HSP90B1TRAP1
SCHEMBL6160601 0.84 HSP90B1 (0.33) HSP90B1TRAP1
SCHEMBL6957208 0.84 HSP90B1 (0.35) HSP90B1TRAP1
SCHEMBL7080138 0.83 RAB9A (0.34)
SCHEMBL6961520 0.82 HSP90B1 (0.32) HSP90B1TRAP1
SCHEMBL6970282 0.82 HSP90B1 (0.32) HSP90B1TRAP1

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