SCHEMBL8524136

SCHEMBL8524136

CCOC(=O)c1noc(C2CC2)c1C(=O)c1ccc(-n2cncn2)c(Br)c1C

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 6/20 0.34
GABRB3 P28472 6/20 0.34
GABRA5 P31644 6/20 0.34
HSP90AA1 P07900 2/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HCRTR2 O43614 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDE4D Q08499 3/20 0.33
GABRA1 P14867 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRA6 Q16445 2/20 0.33
KCNH2 Q12809 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 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
SCHEMBL8525103 0.91 GABRG2 (0.35) GABRG2GABRB3GABRA5HSP90AA1MAPT
SCHEMBL8524133 0.90 L3MBTL1 (0.34) GABRG2GABRB3GABRA5HSP90AA1MAPT
SCHEMBL8524397 0.90 CYP1A2 (0.35) GABRG2GABRB3GABRA5HSP90AA1MAPT
SCHEMBL8524113 0.89 PDE4D (0.35) GABRG2GABRB3GABRA5HSP90AA1MAPT
SCHEMBL8491729 0.88 L3MBTL1 (0.35) GABRG2GABRB3GABRA5HSP90AA1MAPT
SCHEMBL8490765 0.86 L3MBTL1 (0.35) GABRG2GABRB3GABRA5HSP90AA1MAPT
SCHEMBL8490604 0.86 GABRG2 (0.36) GABRG2GABRB3GABRA5HSP90AA1MAPT
SCHEMBL8525154 0.86 HCRTR2 (0.44) GABRG2GABRB3GABRA5HSP90AA1HCRTR2
SCHEMBL8523938 0.86 HCRTR2 (0.41) GABRG2GABRB3GABRA5HSP90AA1MAPT
SCHEMBL8492298 0.85 L3MBTL1 (0.34) GABRG2GABRB3GABRA5HSP90AA1MAPT

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