SCHEMBL6973057

SCHEMBL6973057

CC(C)c1nc(CCCOC(N)=O)n(CCCc2ccncc2)c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
CCR2 P41597 2/20 0.32
HSP90B1 P14625 1/20 0.32
TRAP1 Q12931 1/20 0.32
GSK3B P49841 3/20 0.32
TLR8 Q9NR97 1/20 0.30
GRM5 P41594 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
SCHEMBL6973857 0.96 LMNA (0.33) LMNACCR2HSP90B1TRAP1GSK3B
SCHEMBL7084729 0.96 HSP90B1 (0.34) LMNACCR2HSP90B1TRAP1GSK3B
SCHEMBL6970187 0.92 LMNA (0.44) LMNAGSK3B
SCHEMBL6971680 0.92 PIM1 (0.33) LMNACCR2HSP90B1TRAP1GSK3B
SCHEMBL6972344 0.91 THRB (0.32) LMNAHSP90B1TRAP1
SCHEMBL6973533 0.90 LMNA (0.34) LMNAGSK3B
SCHEMBL6971922 0.89 TLR8 (0.32) LMNAHSP90B1TRAP1TLR8
SCHEMBL6973948 0.88 LMNA (0.42) LMNA
SCHEMBL6972724 0.88 LMNA (0.40) LMNAHSP90B1TRAP1
SCHEMBL6973053 0.88 HSP90B1 (0.38) LMNAHSP90B1TRAP1TLR8

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