SCHEMBL3245708

SCHEMBL3245708

O=C(O)Oc1cn(CCO)c2ccc(Cc3ccc(F)c(Cl)c3F)cc2c1=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 3/20 0.34
THRB P10828 1/20 0.34
MAPT P10636 2/20 0.33
HAT1 O14929 2/20 0.33
EP300 Q09472 2/20 0.33
TP53 P04637 2/20 0.33
RXFP1 Q9HBX9 2/20 0.33
METTL3 Q86U44 1/20 0.33
ALDH1A1 P00352 2/20 0.33
AKR1A1 P14550 1/20 0.32
AKR1B1 P15121 1/20 0.32

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
SCHEMBL3239586 0.89 MAPT (0.39) CNR2SMN1; SMN2LMNATHRBMAPT
SCHEMBL3241739 0.89 LMNA (0.35) CNR2SMN1; SMN2LMNATHRBMAPT
SCHEMBL1045959 0.88 CNR2 (0.41) CNR2SMN1; SMN2LMNAMAPTHAT1
SCHEMBL3234940 0.87 METTL3 (0.44) CNR2SMN1; SMN2LMNATHRBMAPT
SCHEMBL3245177 0.87 MAPT (0.40) SMN1; SMN2LMNATHRBMAPTTP53
SCHEMBL3245353 0.86 CNR2 (0.41) CNR2SMN1; SMN2LMNATHRBMAPT
SCHEMBL3240012 0.85 CNR2 (0.35) CNR2SMN1; SMN2LMNATHRBMAPT
SCHEMBL3241690 0.84 THRB (0.40) CNR2SMN1; SMN2LMNATHRBMAPT
SCHEMBL3239637 0.83 SLC22A12 (0.39) CNR2LMNAMAPTTP53METTL3
SCHEMBL3245011 0.83 LMNA (0.40) CNR2SMN1; SMN2LMNAMAPTTP53

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