SCHEMBL6972373

SCHEMBL6972373

CC(C)c1nc(COC(N)=O)n(Cc2ccncc2)c1Sc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
KDM4E B2RXH2 2/20 0.34
TOP2A P11388 1/20 0.34
TOP2B Q02880 1/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 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
MAPT P10636 1/20 0.33
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TSHR P16473 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 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
SCHEMBL7084824 0.92 PIM1 (0.34) PIM1PIM3KDM4EGAAMEN1
SCHEMBL6975053 0.91 MEN1 (0.41) PIM1PIM3KDM4EGAAMEN1
SCHEMBL6968774 0.90 PIM1 (0.35) PIM1PIM3MEN1KMT2ACCNC
SCHEMBL6960281 0.90 PIM1 (0.36) PIM1PIM3KDM4EKMT2ATP53
SCHEMBL7086385 0.90 TLR7 (0.35) KDM4EKMT2ATLR7ALDH1A1L3MBTL1
SCHEMBL6973183 0.89 ENPP2 (0.35) PIM1PIM3ENPP2TP53MAPT
SCHEMBL7082248 0.89 LMNA (0.40) PIM1PIM3ENPP2TLR7
SCHEMBL6974505 0.89 TOP2A (0.42) KDM4ETOP2ATOP2BGAAENPP2
Capravirine SCHEMBL40347 0.89 PIM1 (0.35) PIM1PIM3KDM4EMEN1KMT2A
Capravirine SCHEMBL4656686 0.89 PIM1 (0.35) PIM1PIM3KDM4EMEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070190523-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2007-08-16 US disclosed
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