SCHEMBL3843524

SCHEMBL3843524

COc1ccc(COc2nn(Cc3ccc(OC)cc3)c(=O)cc2C=CC(=O)O)cc1.[Ar]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
HDAC8 Q9BY41 3/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
FAAH O00519 1/20 0.41
MGLL Q99685 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
PTGER4 P35408 1/20 0.40
PTGER2 P43116 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGDR Q13258 1/20 0.40

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
SCHEMBL3843523 1.00 CNR1 (0.47) CNR1CNR2HDAC8KDM4EALDH1A1
SCHEMBL2767996 0.99 CNR1 (0.48) CNR1CNR2HDAC8KDM4EALDH1A1
SCHEMBL2767992 0.99 CNR1 (0.48) CNR1CNR2HDAC8KDM4EALDH1A1
SCHEMBL3212785 0.85 CNR1 (0.43) CNR1CNR2HDAC8KDM4EALDH1A1
SCHEMBL3212794 0.85 CNR1 (0.43) CNR1CNR2HDAC8KDM4EALDH1A1
SCHEMBL2772203 0.80 HDAC8 (0.43) CNR1CNR2HDAC8KDM4EALDH1A1
SCHEMBL2772199 0.80 HDAC8 (0.43) CNR1CNR2HDAC8KDM4EALDH1A1
SCHEMBL3212801 0.79 PSEN1 (0.48) CNR1CNR2
SCHEMBL2767358 0.77 CNR2 (0.56) CNR1CNR2KDM4EALDH1A1LMNA
SCHEMBL3212790 0.76 CNR1 (0.44) CNR1CNR2KDM4EALDH1A1LMNA

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-2044077-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES Glaxo Group Limited (GB) 2009-04-08 EP disclosed
WO-2008009700-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2008-01-24 WO disclosed