SCHEMBL8097791

SCHEMBL8097791

Cc1cccc(N2CSC(Cl)C2=O)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
HSP90AA1 P07900 1/20 0.42
MGLL Q99685 1/20 0.42
HSD11B1 P28845 2/20 0.42
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
ALDH1A1 P00352 2/20 0.40
ALOX5 P09917 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
GRM2 Q14416 1/20 0.40
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL8105245 0.84 ALDH1A1 (0.47) MGLLALDH1A1ALOX5MAPTKMT2A
SCHEMBL8097196 0.82 MGLL (0.45) MGLLALDH1A1ALOX5MAPTKMT2A
SCHEMBL8096938 0.82 FADS1 (0.44) L3MBTL1MGLLALDH1A1ALOX5MAPT
SCHEMBL8099488 0.82 MAOA (0.47) L3MBTL1MAOAMAOBHSP90AA1MGLL
SCHEMBL8090453 0.82 ATM (0.48) L3MBTL1MGLLHSD11B1ALDH1A1ALOX5
SCHEMBL8089618 0.82 FAAH (0.42) L3MBTL1MGLLHSD11B1ALDH1A1KMT2A
SCHEMBL8104930 0.81 GRM2 (0.45) HSD11B1GRM2DRD2
SCHEMBL8099398 0.81 ALOX5 (0.42) L3MBTL1HSD11B1ALDH1A1ALOX5MAPT
SCHEMBL8103224 0.80 MEN1 (0.44) ALDH1A1MAPTKMT2AGRM2
SCHEMBL8097217 0.78 CTSG (0.41) MAOBMGLLMAPT

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