SCHEMBL4737598

SCHEMBL4737598

O=C1NC(=S)NC1(Cc1ccc(F)c(Br)c1)c1cccc(OS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 3/20 0.35
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
F2 P00734 1/20 0.34
MMP8 P22894 1/20 0.32
MMP14 P50281 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
MAOB P27338 1/20 0.30
PTPN1 P18031 1/20 0.30
SPHK2 Q9NRA0 1/20 0.30
SPHK1 Q9NYA1 1/20 0.30
FAAH O00519 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
SCHEMBL4737146 0.91 TDP1 (0.36) ADAM17TDP1MAOBPTPN1
SCHEMBL4733752 0.88 ADAM17 (0.32) ADAM17MMP8MMP14
SCHEMBL4735347 0.87 ADAM17 (0.30) ADAM17
SCHEMBL4734993 0.78 CA2 (0.33) ADAM17
SCHEMBL4738186 0.76 CA12 (0.31) MMP14
SCHEMBL4738555 0.75 ADAM17 (0.39) ADAM17
SCHEMBL4735173 0.74 CA2 (0.33) ADAM17MMP8MMP14MAOB
SCHEMBL4736892 0.74 CA2 (0.32)
SCHEMBL5067169 0.74 MMP8 (0.33) ADAM17MMP8MMP14MAOB
SCHEMBL4736774 0.74 MEN1 (0.31) ALDH1A1SMN1; SMN2

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