SCHEMBL6971680

SCHEMBL6971680

CC(C)c1nc(CCCOC(N)=O)n(Cc2ccncc2)c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
GSK3B P49841 1/20 0.32
PPARG P37231 3/20 0.32
LMNA P02545 1/20 0.32
TLR8 Q9NR97 1/20 0.32
P2RX3 P56373 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ENPP2 Q13822 1/20 0.30
TLR7 Q9NYK1 1/20 0.30
CCR2 P41597 1/20 0.30
HSP90B1 P14625 1/20 0.30
TRAP1 Q12931 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
SCHEMBL6973396 0.95 PIM1 (0.34) PIM1PIM3P2RX3MEN1KMT2A
SCHEMBL6973857 0.93 LMNA (0.33) GSK3BLMNATLR8CCR2HSP90B1
SCHEMBL6973057 0.92 LMNA (0.34) GSK3BLMNATLR8CCR2HSP90B1
SCHEMBL6965960 0.92 LMNA (0.34) PIM1PIM3GSK3BPPARGLMNA
SCHEMBL6968648 0.91 P2RX3 (0.33) PIM1PIM3GSK3BPPARGLMNA
SCHEMBL6962112 0.91 PPARG (0.34) PPARGLMNATLR8P2RX3TLR7
SCHEMBL6966597 0.91 FKBP1A (0.35) LMNATLR7HSP90B1
SCHEMBL6961932 0.90 PIM1 (0.33) PIM1PIM3P2RX3MEN1KMT2A
SCHEMBL6965758 0.90 ENPP2 (0.34) PIM1PIM3GSK3BPPARGLMNA
SCHEMBL7082248 0.89 LMNA (0.40) PIM1PIM3GSK3BPPARGLMNA

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