SCHEMBL6973086

SCHEMBL6973086

CC(C)c1c(Sc2ccccc2)nc(COC(N)=O)n1Cc1ccncc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 2/20 0.34
TOP2A P11388 1/20 0.34
TOP2B Q02880 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
GAA P10253 1/20 0.34
S1PR3 Q99500 1/20 0.34
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
ENPP2 Q13822 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL7079123 0.91 MEN1 (0.37) PIM1PIM3KDM4EGAAS1PR3
SCHEMBL7084514 0.90 CSNK2A2 (0.37) PIM1PIM3KDM4EGAAS1PR3
SCHEMBL7081063 0.89 ENPP2 (0.35) PIM1PIM3S1PR3MAPTLMNA
SCHEMBL6962542 0.89 PIM1 (0.35) PIM1PIM3SMN1; SMN2KDM4ES1PR3
SCHEMBL8113749 0.89 MEN1 (0.34) PIM1PIM3SMN1; SMN2KDM4ENPC1
SCHEMBL6972484 0.88 ENPP2 (0.35) PIM1PIM3KDM4ES1PR3MEN1
SCHEMBL7080206 0.87 PDE4A (0.36) MAPTMEN1KMT2ALMNAHTT
SCHEMBL6971287 0.86 ALDH1A1 (0.36) SMN1; SMN2KDM4ETOP2ATOP2BNPC1
SCHEMBL6972661 0.85 POLB (0.37) SMN1; SMN2KDM4EGAAS1PR3MEN1
SCHEMBL6975044 0.85 ENPP2 (0.35) SMN1; SMN2KDM4ES1PR3MEN1KMT2A

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