SCHEMBL9681928

SCHEMBL9681928

COc1cc(OC)nc(-c2cccc(Cl)c2C(=S)N(N)c2ccc(F)cc2F)n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.34
AMY1A P0DUB6 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
PDE2A O00408 2/20 0.32
PDE10A Q9Y233 2/20 0.32
PDE7A Q13946 1/20 0.32
DHPS P49366 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
PDE6D O43924 1/20 0.32
PDE6A P16499 1/20 0.32
PDE6G P18545 1/20 0.32
PDE6B P35913 1/20 0.32
PDE6C P51160 1/20 0.32
PDE6H Q13956 1/20 0.32
MAPK14 Q16539 1/20 0.31

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
SCHEMBL9681931 0.88 RORC (0.39) RORCHCRTR1HCRTR2NPSR1GPBAR1
SCHEMBL8320961 0.74 NPSR1 (0.39) NPSR1
SCHEMBL28345038 0.69
SCHEMBL9681868 0.68 NPSR1 (0.43) HCRTR1HCRTR2NPSR1
SCHEMBL29176434 0.66 NPSR1 (0.44) NPSR1
SCHEMBL9448737 0.64 NPC1 (0.51) HCRTR1HCRTR2
SCHEMBL28429986 0.62
SCHEMBL7758359 0.61 GAA (0.44) RORCMAPK14
SCHEMBL9680713 0.61 MAPT (0.33) HCRTR1HCRTR2NPSR1
SCHEMBL13019373 0.59 SMN1; SMN2 (0.45) PDE2APDE10ANPSR1

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
US-5135563-A Herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-08-04 US disclosed
EP-0469711-A1 Pyrimidine derivative SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-02-05 EP disclosed