SCHEMBL4737146

SCHEMBL4737146

O=C1NC(=S)NC1(Cc1ccc(F)c(Br)c1)c1ccc(OS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
ADAM17 P78536 2/20 0.36
MAOB P27338 2/20 0.33
ENPP3 O14638 3/20 0.31
ENPP1 P22413 3/20 0.31
PTPN1 P18031 1/20 0.31
ENPP2 Q13822 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CA2 P00918 3/20 0.30
CA9 Q16790 1/20 0.30
CA12 O43570 2/20 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
SCHEMBL4737598 0.91 ADAM17 (0.35) TDP1ADAM17MAOBPTPN1
SCHEMBL4734993 0.87 CA2 (0.33) ADAM17CA2
SCHEMBL4738186 0.85 CA12 (0.31) CA2CA12
SCHEMBL4733752 0.79 ADAM17 (0.32) ADAM17CA2
SCHEMBL4735347 0.78 ADAM17 (0.30) ADAM17
SCHEMBL4734177 0.77 PPARA (0.31)
SCHEMBL4736892 0.75 CA2 (0.32) CA2
SCHEMBL4736774 0.75 MEN1 (0.31) MEN1KMT2ACA2
SCHEMBL4738555 0.74 ADAM17 (0.39) ADAM17
SCHEMBL5066412 0.73 MAOB (0.35) ADAM17MAOBCA2

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
WO-2008076046-A1 NOVEL 2-AMINO-5, 5-DIARYL-IMIDAZOL-4-ONES ASTRAZENECA AB (SE) 2008-06-26 WO disclosed