SCHEMBL8099488

SCHEMBL8099488

Cc1cccc(N2CSC(O)C2=O)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
HSP90AA1 P07900 1/20 0.42
MGLL Q99685 1/20 0.42
HSD11B1 P28845 2/20 0.42
ALOX5 P09917 2/20 0.42
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
PARP1 P09874 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
GRM2 Q14416 1/20 0.40

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
SCHEMBL8090389 0.83 ALDH1A1 (0.43) MGLLALOX5ALDH1A1MAPTGAA
SCHEMBL8089994 0.82 MGLL (0.45) MGLLMAPTKMT2AGRM2
SCHEMBL8103211 0.82 FADS1 (0.44) L3MBTL1MGLLALOX5ALDH1A1MAPT
SCHEMBL8096854 0.82 ATM (0.48) L3MBTL1MGLLHSD11B1ALOX5ALDH1A1
SCHEMBL8097791 0.82 L3MBTL1 (0.45) MAOAMAOBL3MBTL1HSP90AA1MGLL
SCHEMBL8097531 0.82 FAAH (0.42) MAOAMAOBL3MBTL1MGLLHSD11B1
SCHEMBL8103666 0.81 ALOX5 (0.42) HSD11B1ALOX5ALDH1A1MAPTGAA
SCHEMBL8097872 0.81 HTT (0.42) L3MBTL1ALDH1A1GAARAB9AHTT
SCHEMBL8097433 0.80 MEN1 (0.44) ALDH1A1MAPTGAARAB9AKMT2A
SCHEMBL8098979 0.80 GRM2 (0.44) HSD11B1GRM2

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