SCHEMBL4737594

SCHEMBL4737594

CN1C(=S)NC(=O)C1(c1cccc(OS(=O)(=O)c2ccccc2)c1)c1ccc(F)c(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAOB P27338 2/20 0.34
ALPL P05186 2/20 0.32
ALPI P09923 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KMT2A Q03164 1/20 0.30
ATM Q13315 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
SCHEMBL4737143 0.93 TDP1 (0.38) ALDH1A1SMN1; SMN2MAOBALPLALPI
SCHEMBL4733748 0.89
SCHEMBL4733429 0.87 CYP1A1 (0.33) ALDH1A1
SCHEMBL4735344 0.87 ADORA2B (0.30)
SCHEMBL4805989 0.86 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL4784960 0.83 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2MAOBALPLTDP1
SCHEMBL4734992 0.80 MMP2 (0.31)
SCHEMBL4738183 0.78 MMP2 (0.33)
SCHEMBL4784356 0.76 BACE1 (0.58)
SCHEMBL4735172 0.76 DRD2 (0.32)

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