SCHEMBL8136997

SCHEMBL8136997

CC(C)(C)OC(=O)NCCCCn1cnc2c[n+]([O-])c3ccccc3c21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.44
PIM3 Q86V86 1/20 0.44
PDPK1 O15530 1/20 0.42
CCNB2 O95067 1/20 0.42
PRKCB P05771 1/20 0.42
CDK1 P06493 1/20 0.42
LYN P07948 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
GSK3B P49841 1/20 0.42
RPS6KA3 P51812 1/20 0.42
CCNA1 P78396 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
DRD2 P14416 3/20 0.42
CA12 O43570 4/20 0.41
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA9 Q16790 4/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL5349379 0.97 CNR2 (0.44) PIM1PIM3PDPK1CCNB2PRKCB
SCHEMBL4343039 0.89 BCHE (0.40) CA12CA1CA2CA9CNR2
SCHEMBL5354727 0.83 PDPK1 (0.44) PIM1PIM3PDPK1CCNB2PRKCB
SCHEMBL8135396 0.83 PIM1 (0.47) PIM1PIM3DRD2CNR2IDO1
SCHEMBL25962881 0.80 TLR7 (0.49) PIM1PIM3CNR2
SCHEMBL5350633 0.80 PDPK1 (0.45) PDPK1CCNB2PRKCBCDK1LYN
SCHEMBL5348805 0.80 CNR2 (0.47) PIM1PIM3DRD2CNR2IDO1
SCHEMBL1951717 0.79 PIM1 (0.44) PIM1PIM3DRD2CNR2IDO1
SCHEMBL5364616 0.77 TLR7 (0.48) PIM1PIM3CNR2DYRK1A
SCHEMBL5118893 0.77 TLR7 (0.41) PIM1PIM3CNR2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6069149-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS TERUMO KABUSHIKI KAISHA (JP) 2000-05-30 US disclosed
EP-0894797-A1 NOVEL AMIDE DERIVATIVES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF TERUMO KABUSHIKI KAISHA (JP) 1999-02-03 EP disclosed