SCHEMBL8490604

SCHEMBL8490604

CCOC(=O)c1noc(C2CC2)c1C(=O)c1ccc(-n2cncn2)c2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 4/20 0.36
GABRB3 P28472 4/20 0.36
GABRA5 P31644 4/20 0.36
HCRTR2 O43614 3/20 0.35
ELANE P08246 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
HSP90AA1 P07900 2/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
CNR1 P21554 1/20 0.34
HCRTR1 O43613 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 2/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
PDE4D Q08499 2/20 0.33
CNR2 P34972 1/20 0.33
TP53 P04637 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
SCHEMBL8523938 0.90 HCRTR2 (0.41) GABRG2GABRB3GABRA5HCRTR2SMN1; SMN2
SCHEMBL8525103 0.87 GABRG2 (0.35) GABRG2GABRB3GABRA5HCRTR2SMN1; SMN2
SCHEMBL8491729 0.86 L3MBTL1 (0.35) GABRG2GABRB3GABRA5HCRTR2SMN1; SMN2
SCHEMBL8490765 0.86 L3MBTL1 (0.35) GABRG2GABRB3GABRA5HCRTR2SMN1; SMN2
SCHEMBL8524397 0.86 CYP1A2 (0.35) GABRG2GABRB3GABRA5HCRTR2SMN1; SMN2
SCHEMBL8524136 0.86 GABRG2 (0.34) GABRG2GABRB3GABRA5HCRTR2SMN1; SMN2
SCHEMBL8524113 0.86 PDE4D (0.35) GABRG2GABRB3GABRA5HCRTR2SMN1; SMN2
SCHEMBL8492298 0.85 L3MBTL1 (0.34) GABRG2GABRB3GABRA5HCRTR2SMN1; SMN2
SCHEMBL8524393 0.84 L3MBTL1 (0.34) GABRG2GABRB3GABRA5HCRTR2SMN1; SMN2
SCHEMBL8524133 0.84 L3MBTL1 (0.34) GABRG2GABRB3GABRA5HCRTR2SMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999003856-A1 4-BENZOYL-ISOXAZOLE- AND -PYRAZOLE DERIVATIVES AND 2-CYANO 1,3-DIONE DERIVATIVES AS HERBICIDES RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-28 WO disclosed