SCHEMBL6971875

SCHEMBL6971875

CC(C)c1nc(CCCOC(N)=O)n(Cc2ccccc2)c1Sc1cc(F)cc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
PPARG P37231 7/20 0.37
TLR7 Q9NYK1 3/20 0.36
KCNH2 Q12809 1/20 0.34
AGTR1 P30556 2/20 0.34
AGTR2 P50052 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
GSK3B P49841 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
SCHEMBL6967887 0.95 LMNA (0.35) LMNAPPARGTLR7TDP1
SCHEMBL6961399 0.92 PPARG (0.35) LMNAPPARGTLR7KCNH2AGTR1
SCHEMBL6965758 0.92 ENPP2 (0.34) LMNAPPARGTLR7KCNH2AGTR1
SCHEMBL7085936 0.92 LMNA (0.42) LMNAPPARG
SCHEMBL6974575 0.92 TLR7 (0.35) LMNAPPARGTLR7KCNH2TDP1
SCHEMBL6969841 0.91 LMNA (0.44) LMNAPPARGGSK3B
SCHEMBL6970826 0.91 GRIN1 (0.35) LMNATLR7
SCHEMBL6975529 0.90 LMNA (0.41) LMNAPPARGTLR7KCNH2TDP1
SCHEMBL6975183 0.89 ENPP2 (0.35) LMNATLR7TDP1
SCHEMBL6967565 0.89 LMNA (0.32) LMNAPPARGTLR7AGTR1AGTR2

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