SCHEMBL6972595

SCHEMBL6972595

CC(C)c1nc(CCCOC(N)=O)n(Cc2ccccc2)c1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
TLR7 Q9NYK1 2/20 0.39
PPARG P37231 3/20 0.39

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
SCHEMBL6973410 0.94 LMNA (0.41) LMNATLR7
SCHEMBL6962251 0.87 TDP1 (0.38) LMNATLR7
SCHEMBL6969647 0.82 TLR7 (0.42) TLR7PPARG
SCHEMBL6962178 0.80 LMNA (0.40) LMNATLR7PPARG
SCHEMBL6975529 0.79 LMNA (0.41) LMNATLR7PPARG
SCHEMBL6971875 0.78 LMNA (0.41) LMNATLR7PPARG
SCHEMBL7082248 0.78 LMNA (0.40) LMNATLR7PPARG
SCHEMBL6968903 0.77 MEN1 (0.43) LMNA
SCHEMBL6971258 0.76 LMNA (0.40) LMNATLR7
SCHEMBL6968991 0.74 LMNA (0.41) LMNATLR7PPARG

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