SCHEMBL8267239

SCHEMBL8267239

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.57
WDR77 Q9BQA1 1/20 0.57
KMT2A Q03164 3/20 0.53
GAA P10253 1/20 0.53
HTT P42858 1/20 0.53
CA2 P00918 3/20 0.50
MMP2 P08253 2/20 0.50
CA1 P00915 1/20 0.50
MMP1 P03956 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
CA5A P35218 1/20 0.50
MEN1 O00255 2/20 0.49
F2 P00734 2/20 0.48
PRSS1 P07477 2/20 0.48
PRSS2 P07478 2/20 0.48
PRSS3 P35030 2/20 0.48
MAPT P10636 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL27546340 1.00 PRMT5 (0.57) PRMT5WDR77KMT2AGAAHTT
SCHEMBL25725225 0.89 PRMT5 (0.60) PRMT5WDR77KMT2AGAAHTT
SCHEMBL14075589 0.86 PRMT5 (0.57) PRMT5WDR77KMT2AGAAHTT
SCHEMBL27583915 0.85 PRMT5 (0.56) PRMT5WDR77KMT2AGAAHTT
SCHEMBL5944260 0.84 PRMT5 (0.55) PRMT5WDR77KMT2AGAAHTT
SCHEMBL6690453 0.84 PRMT5 (0.55) PRMT5WDR77KMT2AGAAHTT
SCHEMBL5944400 0.84 PRMT5 (0.55) PRMT5WDR77KMT2AGAAHTT
SCHEMBL1051160 0.83 PRMT5 (0.60) PRMT5WDR77KMT2AGAAHTT
SCHEMBL13969656 0.81 PRMT5 (0.64) PRMT5WDR77KMT2AGAAHTT
SCHEMBL6114507 0.81 PRMT5 (0.68) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006060122-A9 CARDIOTONIC COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST BETA-ADRENERGIC RECEPTORS AND PHOSPHODIESTERASE ARTESIAN THERAPEUTICS INC (US) 2006-08-17 WO disclosed