SCHEMBL3245754

SCHEMBL3245754

O=C(O)Oc1cn(Cc2ccccc2-c2ccccc2)c2ccc(Cc3cccc(Cl)c3Cl)cc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.42
LMNA P02545 3/20 0.40
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TP53 P04637 5/20 0.38
MAPT P10636 5/20 0.38
RXFP1 Q9HBX9 1/20 0.37
ICMT O60725 1/20 0.36
CCR2 P41597 1/20 0.35
CNR2 P34972 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
SCHEMBL3239774 0.91 LMNA (0.46) SLC22A12LMNAALDH1A1TP53MAPT
SCHEMBL1043838 0.88 GAA (0.50) SLC22A12LMNAGAAHTTMAPT
SCHEMBL3241684 0.86 LMNA (0.41) SLC22A12LMNAGAAHTTALDH1A1
SCHEMBL3239637 0.86 SLC22A12 (0.39) SLC22A12LMNAGAAHTTALDH1A1
SCHEMBL3246470 0.85 SLC22A12 (0.41) SLC22A12LMNAGAAHTTALDH1A1
SCHEMBL3245381 0.85 ALDH1A1 (0.41) SLC22A12LMNAHTTALDH1A1TP53
SCHEMBL3241672 0.85 PLA2G4A (0.38) SLC22A12LMNAGAAHTTALDH1A1
SCHEMBL3240020 0.85 CNR2 (0.38) SLC22A12LMNAGAAHTTALDH1A1
SCHEMBL3241585 0.84 SLC22A12 (0.39) SLC22A12LMNAGAAHTTALDH1A1
SCHEMBL3239179 0.84 CNR2 (0.40) SLC22A12LMNAGAAHTTALDH1A1

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