SCHEMBL3243769

SCHEMBL3243769

O=C(O)Oc1cn(CCO)c2ccc(Cc3c(F)cccc3Cl)cc2c1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.40
GAA P10253 1/20 0.36
LMNA P02545 4/20 0.36
THRB P10828 1/20 0.35
REN P00797 1/20 0.35
DAO P14920 1/20 0.35
MAPT P10636 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
ALDH1A1 P00352 4/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TP53 P04637 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
PDE7A Q13946 2/20 0.34

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
SCHEMBL3240012 0.89 CNR2 (0.35) SLC22A12LMNATHRBMAPTALDH1A1
SCHEMBL3241739 0.89 LMNA (0.35) LMNATHRBMAPTALDH1A1SMN1; SMN2
SCHEMBL1044458 0.88 CHRM1 (0.45) SLC22A12LMNATHRBMAPTALDH1A1
SCHEMBL3234940 0.87 METTL3 (0.44) SLC22A12GAALMNATHRBMAPT
SCHEMBL3239586 0.87 MAPT (0.39) LMNATHRBMAPTALDH1A1SMN1; SMN2
SCHEMBL3245184 0.86 SLC22A12 (0.39) SLC22A12GAALMNATHRBREN
SCHEMBL3239637 0.85 SLC22A12 (0.39) SLC22A12GAALMNAMAPTALDH1A1
SCHEMBL3245177 0.85 MAPT (0.40) GAALMNATHRBMAPTPTGDR2
SCHEMBL3245011 0.85 LMNA (0.40) SLC22A12GAALMNAMAPTALDH1A1
SCHEMBL3237310 0.84 SLC22A12 (0.39) SLC22A12LMNATHRBMAPTPTGDR2

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