SCHEMBL4790619

SCHEMBL4790619

CS(=O)(=O)[C@]1(COS(=O)(=O)c2cccc([N+](=O)[O-])c2)CO1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.56
WDR77 Q9BQA1 1/20 0.56
KMT2A Q03164 3/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
CA2 P00918 2/20 0.46
CA5A P35218 1/20 0.46
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.43
CA1 P00915 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 1/20 0.42
F2 P00734 2/20 0.42

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
SCHEMBL58849 0.86 PRMT5 (0.60) PRMT5WDR77KMT2AGAAHTT
SCHEMBL1949110 0.86 PRMT5 (0.60) PRMT5WDR77KMT2AGAAHTT
SCHEMBL3153471 0.86 PRMT5 (0.60) PRMT5WDR77KMT2AGAAHTT
SCHEMBL5106601 0.84 PRMT5 (0.57) PRMT5WDR77KMT2AGAAHTT
SCHEMBL5106600 0.84 PRMT5 (0.57) PRMT5WDR77KMT2AGAAHTT
SCHEMBL13969656 0.77 PRMT5 (0.64) PRMT5WDR77KMT2AGAAHTT
SCHEMBL6114507 0.77 PRMT5 (0.68) PRMT5WDR77KMT2AGAAHTT
SCHEMBL8264853 0.75 PRMT5 (0.61) PRMT5WDR77KMT2AGAAHTT
SCHEMBL5185235 0.74 PRMT5 (0.57) PRMT5WDR77KMT2AGAAHTT
SCHEMBL25725225 0.74 PRMT5 (0.60) PRMT5WDR77KMT2AGAAHTT

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
EP-1945613-A1 NOVEL 1 -BENZYL-4-PIPERIDINAMINES THAT ARE USEFUL IN THE TREATMENT OF COPD AND ASTHMA AstraZeneca AB (SE) 2008-07-23 EP disclosed
WO-2007053082-A1 NOVEL 1 -BENZYL-4-PIPERIDINAMINES THAT ARE USEFUL IN THE TREATMENT OF COPD AND ASTHMA ASTRAZENECA AB (SE) 2007-05-10 WO disclosed