SCHEMBL4712336

SCHEMBL4712336

CC(OS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CO1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.60
WDR77 Q9BQA1 1/20 0.60
KMT2A Q03164 4/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
CA2 P00918 3/20 0.47
CA5A P35218 1/20 0.47
ACHE P22303 1/20 0.45
LMNA P02545 1/20 0.44
MMP2 P08253 2/20 0.44
CA1 P00915 1/20 0.44
MMP1 P03956 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 3/20 0.43
F2 P00734 2/20 0.43
PRSS1 P07477 2/20 0.43
PRSS2 P07478 2/20 0.43

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
SCHEMBL19469344 0.81 KMT2A (0.60) PRMT5WDR77KMT2AGAAHTT
SCHEMBL3835002 0.78 PRMT5 (0.67) PRMT5WDR77KMT2AGAAHTT
SCHEMBL14123126 0.78 PRMT5 (0.67) PRMT5WDR77KMT2AGAAHTT
SCHEMBL11889212 0.75 PRMT5 (0.54) PRMT5WDR77KMT2AGAAHTT
SCHEMBL7960404 0.75 PRMT5 (0.54) PRMT5WDR77KMT2AGAAHTT
SCHEMBL336603 0.75 PRMT5 (1.00) PRMT5WDR77KMT2AGAAHTT
SCHEMBL449928 0.75 PRMT5 (1.00) PRMT5WDR77KMT2AGAAHTT
SCHEMBL9101862 0.75 KMT2A (0.53) PRMT5WDR77KMT2AGAAHTT
SCHEMBL336605 0.75 PRMT5 (1.00) PRMT5WDR77KMT2AGAAHTT
SCHEMBL30301224 0.75 PRMT5 (1.00) 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