SCHEMBL8524133

SCHEMBL8524133

CCOC(=O)c1noc(C2CC2)c1C(=O)c1ccc(-n2cncn2)c(Br)c1SC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.34
GABRG2 P18507 6/20 0.33
GABRB3 P28472 6/20 0.33
GABRA5 P31644 6/20 0.33
HSP90AA1 P07900 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KCNH2 Q12809 1/20 0.31
GABRA1 P14867 2/20 0.31
GABRA3 P34903 2/20 0.31
GABRA2 P47869 2/20 0.31
GABRA6 Q16445 2/20 0.31
HCRTR2 O43614 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL8490765 0.94 L3MBTL1 (0.35) L3MBTL1GABRG2GABRB3GABRA5HSP90AA1
SCHEMBL8492298 0.92 L3MBTL1 (0.34) L3MBTL1GABRG2GABRB3GABRA5HSP90AA1
SCHEMBL8524393 0.91 L3MBTL1 (0.34) L3MBTL1GABRG2GABRB3GABRA5HSP90AA1
SCHEMBL8524136 0.90 GABRG2 (0.34) L3MBTL1GABRG2GABRB3GABRA5HSP90AA1
SCHEMBL8524106 0.90 L3MBTL1 (0.33) L3MBTL1GABRG2GABRB3GABRA5HSP90AA1
SCHEMBL8491726 0.89 L3MBTL1 (0.35) L3MBTL1GABRG2GABRB3GABRA5HSP90AA1
SCHEMBL8525146 0.87 HCRTR2 (0.40) GABRG2GABRB3GABRA5MAPTGABRA1
SCHEMBL8525103 0.86 GABRG2 (0.35) L3MBTL1GABRG2GABRB3GABRA5HSP90AA1
SCHEMBL8525066 0.86 HCRTR2 (0.32) MAPTHTTHCRTR2KDM4EMEN1
SCHEMBL8488135 0.84 GABRG2 (0.36) GABRG2GABRB3GABRA5MAPTHTT

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