SCHEMBL8097196

SCHEMBL8097196

COc1cccc(N2CSC(Cl)C2=O)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
HSD17B10 Q99714 1/20 0.45
FADS1 O60427 1/20 0.43
MAPT P10636 2/20 0.43
GRM2 Q14416 1/20 0.42
KMT2A Q03164 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALOX5 P09917 1/20 0.41
PMM2 O15305 1/20 0.41
MPI P34949 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ROCK2 O75116 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL8097217 0.84 CTSG (0.41) MGLLMAPT
SCHEMBL8089858 0.84 POLB (0.44) MGLLMAPTKMT2AALDH1A1
SCHEMBL8089994 0.83 MGLL (0.45) MGLLCASP1CASP7HSD17B10FADS1
SCHEMBL8097791 0.82 L3MBTL1 (0.45) MGLLMAPTGRM2KMT2ADRD2
SCHEMBL8089666 0.82 DRD2 (0.44) MGLLDRD2DRD3ROCK2
SCHEMBL8105245 0.82 ALDH1A1 (0.47) MGLLFADS1MAPTKMT2ADRD2
SCHEMBL8089984 0.80 GAA (0.54) MAPTGRM2PMM2MPIALDH1A1
SCHEMBL8090453 0.79 ATM (0.48) MGLLKMT2AALOX5ALDH1A1
SCHEMBL8089618 0.79 FAAH (0.42) MGLLKMT2ADRD2DRD3MPI
SCHEMBL8096938 0.79 FADS1 (0.44) MGLLFADS1MAPTGRM2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672038-B1 HERBICIDES ZENECA LTD (GB) 2000-01-19 EP disclosed
US-5856273-A CONTROLLING WEEDS ZENECA LIMITED (GB) 1999-01-05 US disclosed
CN-1039492-C Herbicides ZENECA LTD (GB) 1998-08-12 CN disclosed
EP-0672038-A1 HERBICIDES ZENECA LIMITED (GB) 1995-09-20 EP disclosed
CN-1095066-A Weedicide ZENECA LTD (GB) 1994-11-16 CN disclosed
WO-1994013652-A1 HERBICIDES ZENECA LIMITED (GB) 1994-06-23 WO disclosed