SCHEMBL8089984

SCHEMBL8089984

COC(=O)c1cccc(N2CSC(Cl)C2=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
GRM2 Q14416 1/20 0.47
ALDH1A1 P00352 4/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 1/20 0.46
PMM2 O15305 1/20 0.46
MPI P34949 1/20 0.46
RAB9A P51151 1/20 0.46
PHOSPHO1 Q8TCT1 1/20 0.46
TP53 P04637 1/20 0.45
HPGD P15428 3/20 0.44
OPRM1 P35372 1/20 0.43
OPRL1 P41146 1/20 0.43
MAPT P10636 2/20 0.43
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.43
CTSG P08311 1/20 0.42
CMA1 P23946 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL8090375 0.86 GAA (0.55) GAAGRM2ALDH1A1LMNAMAPK1
SCHEMBL8097196 0.80 MGLL (0.45) GRM2ALDH1A1MAPK1PMM2MPI
SCHEMBL8098970 0.78 GAA (0.51) GAAGRM2ALDH1A1LMNAMAPK1
SCHEMBL8105439 0.78 GAA (0.47) GAAGRM2ALDH1A1LMNAMAPK1
SCHEMBL8097791 0.77 L3MBTL1 (0.45) GRM2ALDH1A1MAPTL3MBTL1
SCHEMBL8105245 0.77 ALDH1A1 (0.47) GAAALDH1A1LMNAMAPTALOX15
SCHEMBL4121023 0.75 GAA (0.57) GAAGRM2ALDH1A1LMNAMAPK1
SCHEMBL6568249 0.74 GAA (0.56) GAAGRM2ALDH1A1LMNAMAPK1
SCHEMBL8090453 0.74 ATM (0.48) ALDH1A1L3MBTL1ATM
SCHEMBL8089618 0.74 FAAH (0.42) GAAALDH1A1LMNAMPIALOX15

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 4 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
EP-0672038-A1 HERBICIDES ZENECA LIMITED (GB) 1995-09-20 EP disclosed
WO-1994013652-A1 HERBICIDES ZENECA LIMITED (GB) 1994-06-23 WO disclosed