SCHEMBL3245353

SCHEMBL3245353

O=C(O)Oc1cn(CCO)c2ccc(Cc3ccc(F)cc3Cl)cc2c1=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.41
THRB P10828 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
MAPT P10636 5/20 0.36
PRNP P04156 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
GAA P10253 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
SCHEMBL3241690 0.93 THRB (0.40) CNR2THRBSMN1; SMN2TP53RXFP1
SCHEMBL3245011 0.87 LMNA (0.40) CNR2SMN1; SMN2TP53MAPTLMNA
SCHEMBL1044507 0.87 CNR2 (0.46) CNR2THRBSMN1; SMN2TP53RXFP1
SCHEMBL3245708 0.86 CNR2 (0.37) CNR2THRBSMN1; SMN2TP53RXFP1
SCHEMBL3234940 0.86 METTL3 (0.44) CNR2THRBSMN1; SMN2TP53RXFP1
SCHEMBL3239586 0.84 MAPT (0.39) CNR2THRBSMN1; SMN2TP53RXFP1
SCHEMBL3239637 0.84 SLC22A12 (0.39) CNR2TP53MAPTLMNAALDH1A1
SCHEMBL3240136 0.84 CNR2 (0.36) CNR2THRBSMN1; SMN2TP53MAPT
SCHEMBL3246563 0.83 LMNA (0.40) CNR2TP53RXFP1MAPTLMNA
SCHEMBL3239864 0.83 LMNA (0.37) CNR2TP53MAPTLMNAALDH1A1

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