SCHEMBL8100717

SCHEMBL8100717

C=CCOc1cc(-n2nc(C3CC3)sc2=O)c(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPOX P50336 8/20 0.46
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
HTR2C P28335 3/20 0.32
HTR2B P41595 3/20 0.32
HTR2A P28223 2/20 0.32
MAPT P10636 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
TP53 P04637 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL8110702 0.91 PPOX (0.50) PPOXPOLBHTR2CHTR2BHTR2A
SCHEMBL8110190 0.87 PPOX (0.36) PPOXPOLBGAAPKMMAPT
SCHEMBL8116097 0.82 POLB (0.34) PPOXPOLBGAAPKMHTR2C
SCHEMBL8110444 0.81 GAA (0.34) PPOXPOLBGAAPKMHTR2C
SCHEMBL8110364 0.79 PPOX (0.46) PPOX
SCHEMBL8110417 0.79 PPOX (0.40) PPOXPOLB
SCHEMBL8110674 0.76 PPOX (0.35) PPOXPOLBMAPT
SCHEMBL8110461 0.74 PPOX (0.39) PPOXPOLBMAPT
SCHEMBL8100657 0.74 PPOX (0.35) PPOXPOLBMAPT
SCHEMBL8110127 0.74 PPOX (0.35) PPOXPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0780385-B1 Arylthiadiazolones with a herbicidal activity ISAGRO RICERCA SRL (IT) 2000-05-10 EP disclosed
US-5821197-A CYCLIZATION OF A THIOHYDRAZIDE ISAGRO RICERCA S.R.L. (IT) 1998-10-13 US disclosed
EP-0780385-A1 Arylthiadiazolones with a herbicidal activity ISAGRO RICERCA S.r.l. (IT) 1997-06-25 EP disclosed