SCHEMBL3247133

SCHEMBL3247133

O=C(O)Oc1cn(CCCCc2ccccc2)c2ccc(Cc3cccc(Cl)c3Cl)cc2c1=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.40
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
EGFR P00533 1/20 0.38
IGF1R P08069 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
PLA2G4A P47712 2/20 0.37
LMNA P02545 3/20 0.36
ALDH1A1 P00352 2/20 0.36
SLC22A12 Q96S37 1/20 0.36
HDAC3 O15379 1/20 0.36
ACLY P53396 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL3239861 0.97 CNR2 (0.39) CNR2PDE4APDE4BPDE4CPDE4D
SCHEMBL3241672 0.94 PLA2G4A (0.38) CNR2EGFRPLA2G4ALMNAALDH1A1
SCHEMBL3239179 0.91 CNR2 (0.40) CNR2LMNAALDH1A1SLC22A12HDAC3
SCHEMBL3246552 0.90 CNR2 (0.39) CNR2LMNAALDH1A1SLC22A12HDAC3
SCHEMBL3240020 0.90 CNR2 (0.38) CNR2LMNAALDH1A1SLC22A12TP53
SCHEMBL3245321 0.89 CNR2 (0.45) CNR2LMNASLC22A12TP53MAPT
SCHEMBL3239774 0.89 LMNA (0.46) CNR2PLA2G4ALMNAALDH1A1SLC22A12
SCHEMBL1046901 0.88 LMNA (0.45) CNR2PDE4APDE4BPDE4CPDE4D
SCHEMBL3239637 0.88 SLC22A12 (0.39) CNR2LMNAALDH1A1SLC22A12TP53
SCHEMBL3241585 0.88 SLC22A12 (0.39) CNR2PLA2G4ALMNAALDH1A1SLC22A12

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
EP-1564210-B9 4-OXOQUINOLINE COMPOUNDS AND UTILIZATION THEREOF AS HIV INTEGRASE INHIBITORS JAPAN TOBACCO INC (JP) 2010-03-31 EP claimed
EP-1564210-B1 4-OXOQUINOLINE COMPOUNDS AND UTILIZATION THEREOF AS HIV INTEGRASE INHIBITORS JAPAN TOBACCO INC (JP) 2009-09-16 EP claimed