SCHEMBL3237348

SCHEMBL3237348

O=C(O)Oc1cn(CCO)c2cc(OCC3CCCCC3)c(Cc3cccc(Cl)c3F)cc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
METTL3 Q86U44 1/20 0.45
PTGER1 P34995 6/20 0.36
SCN9A Q15858 4/20 0.35
FABP4 P15090 2/20 0.34
CNR2 P34972 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
P2RX7 Q99572 1/20 0.33

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
SCHEMBL1078255 0.92 METTL3 (0.52) METTL3PTGER1SCN9AFABP4CNR2
SCHEMBL3245198 0.87 METTL3 (0.49) METTL3
SCHEMBL3241143 0.86 METTL3 (0.51) METTL3P2RX7
SCHEMBL3239561 0.86 METTL3 (0.49) METTL3
SCHEMBL3241182 0.86 METTL3 (0.35) METTL3PTGER1SCN9AFABP4
SCHEMBL3242335 0.85 METTL3 (0.49) METTL3CNR2
SCHEMBL3245174 0.85 METTL3 (0.60) METTL3
SCHEMBL3245303 0.83 METTL3 (0.54) METTL3P2RX7
SCHEMBL3239764 0.83 METTL3 (0.45) METTL3
SCHEMBL3243820 0.81 METTL3 (0.48) METTL3P2RX7

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