SCHEMBL9752834

SCHEMBL9752834

NC(=S)C1Oc2ccccc2Cc2ccccc2O1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.54
MAOA P21397 7/20 0.48
MAOB P27338 7/20 0.48
AOC2 O75106 5/20 0.37
DAO P14920 1/20 0.37
HTR2A P28223 2/20 0.36
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HTR2C P28335 1/20 0.33
HRH1 P35367 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
CA2 P00918 2/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
DRD1 P21728 1/20 0.33
TBXA2R P21731 1/20 0.33
SLC6A2 P23975 1/20 0.33
ADRA1A P35348 1/20 0.33

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
SCHEMBL9751996 0.83 NISCH (0.53) NISCHMAOAMAOBAOC2HPGD
SCHEMBL9327125 0.77 POLB (0.56) NISCHMAOAMAOBHPGDTSHR
Hydrochloric Acid SCHEMBL9751989 0.76 POLB (0.55) NISCHMAOAMAOBAOC2DAO
SCHEMBL9751988 0.76 MAOA (0.47) NISCHMAOAMAOBHPGDTSHR
SCHEMBL9752742 0.75 MAOA (0.39) NISCHMAOAMAOBTSHR
SCHEMBL9752721 0.74 MAOA (0.45) NISCHMAOAMAOBHPGDTSHR
Potassium Ion SCHEMBL9752861 0.74 MAOA (0.45) NISCHMAOAMAOBHPGDTSHR
SCHEMBL9752005 0.72 MAOA (0.42) NISCHMAOAMAOBHPGDTSHR
SCHEMBL10399928 0.72 MAOA (0.42) NISCHMAOAMAOBAOC2DAO
Dimethylamine SCHEMBL9752837 0.72 POLB (0.50) NISCHMAOAMAOBHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991000009-A1 NOVEL GLYOXYLATES AND HERBICIDAL AND PLANT GROWTH REGULANT ACTIVITY OF GLYOXYLATES FERMENTA ASC CORPORATION (US) 1991-01-10 WO disclosed
US-4976770-A POSTEMERGENCE, PREEMERGENCE HERBICIDES FERMENTA ASC CORPORATION (US) 1990-12-11 US disclosed