SCHEMBL8488135

SCHEMBL8488135

CCOC(=O)c1noc(C2CC2)c1C(=O)c1ccc(-n2cnnc2C)c(Br)c1SC

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 12/20 0.36
GABRB3 P28472 12/20 0.36
GABRA5 P31644 12/20 0.36
SLC22A12 Q96S37 1/20 0.33
GABRA1 P14867 3/20 0.32
GABRA3 P34903 3/20 0.32
GABRA2 P47869 3/20 0.32
GABRA6 Q16445 3/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL8488140 0.90 GABRG2 (0.38) GABRG2GABRB3GABRA5SLC22A12GABRA1
SCHEMBL8525146 0.85 HCRTR2 (0.40) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL8525066 0.84 HCRTR2 (0.32) KDM4EMEN1USP2LMNAMAPT
SCHEMBL8524133 0.84 L3MBTL1 (0.34) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL8525657 0.80 HCRTR2 (0.42) GABRG2GABRB3GABRA5KDM4EMEN1
SCHEMBL8490765 0.79 L3MBTL1 (0.35) GABRG2GABRB3GABRA5KDM4EMEN1
SCHEMBL8524884 0.79 LMNA (0.34) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL8391480 0.78 ALDH1A1 (0.34) KDM4EMEN1USP2LMNAMAPT
SCHEMBL8490014 0.78 HTT (0.38) KDM4EMEN1USP2LMNAMAPT
SCHEMBL8492298 0.77 L3MBTL1 (0.34) GABRG2GABRB3GABRA5KDM4EMEN1

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