SCHEMBL3243385

SCHEMBL3243385

O=C(O)Oc1cn(CCc2ccccc2)c2ccc(Cc3ccccc3Cl)cc2c1=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 4/20 0.40
LMNA P02545 3/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
CNR2 P34972 3/20 0.38
TP53 P04637 3/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.37
SLC22A12 Q96S37 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL3241672 0.93 PLA2G4A (0.38) PLA2G4ALMNAALDH1A1GAAHTT
SCHEMBL3245011 0.91 LMNA (0.40) LMNAALDH1A1GAAHTTCNR2
SCHEMBL3239861 0.88 CNR2 (0.39) PLA2G4ALMNAALDH1A1CNR2TP53
SCHEMBL3247133 0.87 CNR2 (0.40) PLA2G4ALMNAALDH1A1CNR2TP53
SCHEMBL1045308 0.87 LMNA (0.50) PLA2G4ALMNAALDH1A1GAAHTT
SCHEMBL3239774 0.84 LMNA (0.46) PLA2G4ALMNAALDH1A1CNR2TP53
SCHEMBL3239637 0.83 SLC22A12 (0.39) LMNAALDH1A1GAAHTTCNR2
SCHEMBL3241585 0.83 SLC22A12 (0.39) PLA2G4ALMNAALDH1A1GAAHTT
SCHEMBL3247125 0.83 CNR2 (0.41) LMNAALDH1A1CNR2TP53MAPT
SCHEMBL3243264 0.83 SLC22A12 (0.40) PLA2G4ALMNAALDH1A1CNR2SLC22A12

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