SCHEMBL8090375

SCHEMBL8090375

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
GRM2 Q14416 1/20 0.47
ALDH1A1 P00352 4/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
PMM2 O15305 1/20 0.47
MPI P34949 1/20 0.47
RAB9A P51151 1/20 0.47
PHOSPHO1 Q8TCT1 1/20 0.47
TP53 P04637 1/20 0.46
HPGD P15428 3/20 0.45
MAPT P10636 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
OPRM1 P35372 1/20 0.44
OPRL1 P41146 1/20 0.44
CTSG P08311 1/20 0.43
CMA1 P23946 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43

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
SCHEMBL8089984 0.86 GAA (0.54) GAAGRM2ALDH1A1LMNAMAPK1
SCHEMBL8089994 0.81 MGLL (0.45) GRM2LMNAMAPK1TP53MAPT
SCHEMBL8105439 0.79 GAA (0.47) GAAGRM2ALDH1A1LMNAMAPK1
SCHEMBL8099488 0.78 MAOA (0.47) GAAGRM2ALDH1A1RAB9AMAPT
SCHEMBL6568249 0.78 GAA (0.56) GAAGRM2ALDH1A1LMNAMAPK1
SCHEMBL2623576 0.77 GAA (0.55) GAAGRM2ALDH1A1LMNAMAPK1
SCHEMBL2623592 0.77 GAA (0.55) GAAGRM2ALDH1A1LMNAMAPK1
SCHEMBL8098970 0.76 GAA (0.51) GAAGRM2ALDH1A1LMNAMAPK1
SCHEMBL4121023 0.76 GAA (0.57) GAAGRM2ALDH1A1LMNAMAPK1
SCHEMBL8096854 0.75 ATM (0.48) ALDH1A1L3MBTL1ATM

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