SCHEMBL4582968

SCHEMBL4582968

Cc1n[nH]c(=O)c(-c2cccc3c2OC(F)(F)O3)c1-c1ccc(Cl)s1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
USP1 O94782 2/20 0.33
DRD2 P14416 2/20 0.31
DRD1 P21728 1/20 0.31
HTR1A P08908 1/20 0.30
HTR2A P28223 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
SCHEMBL4582585 0.78 GNRHR (0.37)
SCHEMBL4583334 0.77 NOTUM (0.38) DRD1
SCHEMBL4582481 0.75 NPSR1 (0.36) DRD1
SCHEMBL4582299 0.71 NPSR1 (0.37) DRD1
SCHEMBL4582691 0.71 IKBKE (0.45)
SCHEMBL4608946 0.70 TYMP (0.46)
SCHEMBL4582558 0.70 PTGS2 (0.34)
SCHEMBL4582132 0.70 DRD1 (0.34) DRD1
SCHEMBL8884101 0.65 JAK2 (0.34) USP1DRD2DRD1
SCHEMBL18253162 0.63 TDO2 (0.37) USP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1972623-A1 Arylpyridazines as fungicides Bayer CropScience AG (DE) 2008-09-24 EP disclosed