SCHEMBL3241739

SCHEMBL3241739

O=C(O)Oc1cn(CCO)c2ccc(Cc3c(F)ccc(F)c3Cl)cc2c1=O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.35
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HAT1 O14929 2/20 0.34
EP300 Q09472 2/20 0.34
ALDH1A1 P00352 2/20 0.33
TP53 P04637 1/20 0.33
CNR2 P34972 1/20 0.33
MAPT P10636 3/20 0.33
POLB P06746 1/20 0.33
PRNP P04156 1/20 0.32
CPT1A P50416 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
MAPK10 P53779 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
SCHEMBL3240012 0.91 CNR2 (0.35) LMNATHRBSMN1; SMN2HAT1EP300
SCHEMBL3245708 0.89 CNR2 (0.37) LMNATHRBSMN1; SMN2HAT1EP300
SCHEMBL3243769 0.89 SLC22A12 (0.40) LMNATHRBSMN1; SMN2ALDH1A1TP53
SCHEMBL1043649 0.87 ALDH1A1 (0.42) LMNASMN1; SMN2HAT1EP300ALDH1A1
SCHEMBL3239586 0.87 MAPT (0.39) LMNATHRBSMN1; SMN2HAT1EP300
SCHEMBL3245353 0.82 CNR2 (0.41) LMNATHRBSMN1; SMN2ALDH1A1TP53
SCHEMBL3241690 0.82 THRB (0.40) LMNATHRBSMN1; SMN2TP53CNR2
SCHEMBL3234940 0.81 METTL3 (0.44) LMNATHRBSMN1; SMN2HAT1EP300
SCHEMBL3239637 0.81 SLC22A12 (0.39) LMNAALDH1A1TP53CNR2MAPT
SCHEMBL3245177 0.81 MAPT (0.40) LMNATHRBSMN1; SMN2ALDH1A1TP53

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