SCHEMBL4754049

SCHEMBL4754049

O=C(O)N1C[C@H](OS(=O)(=O)c2cccc([N+](=O)[O-])c2)CO1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.53
WDR77 Q9BQA1 1/20 0.53
KMT2A Q03164 4/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
LMNA P02545 1/20 0.43
CA2 P00918 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
CA5A P35218 1/20 0.43
ALDH1A1 P00352 2/20 0.43
ACHE P22303 1/20 0.42
FKBP1A P62942 1/20 0.41
MEN1 O00255 3/20 0.41
F2 P00734 2/20 0.41
PRSS1 P07477 2/20 0.41

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
SCHEMBL4754054 1.00 PRMT5 (0.53) PRMT5WDR77KMT2AGAAHTT
SCHEMBL4751494 1.00 PRMT5 (0.53) PRMT5WDR77KMT2AGAAHTT
SCHEMBL4751497 1.00 PRMT5 (0.53) PRMT5WDR77KMT2AGAAHTT
SCHEMBL13984238 0.87 ALOX5 (0.48) PRMT5WDR77KMT2AGAAHTT
SCHEMBL701211 0.79 PRMT5 (0.45) PRMT5WDR77KMT2AGAAHTT
SCHEMBL19469359 0.79 PRMT5 (0.59) PRMT5WDR77KMT2AGAAHTT
SCHEMBL3835002 0.76 PRMT5 (0.67) PRMT5WDR77KMT2AGAAHTT
SCHEMBL14123126 0.76 PRMT5 (0.67) PRMT5WDR77KMT2AGAAHTT
SCHEMBL9099702 0.75 PRMT5 (0.55) PRMT5WDR77KMT2AGAAHTT
SCHEMBL19469375 0.74 ACHE (0.54) 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
WO-2008150231-A1 NEW HETEROCYCLIC COMPOUNDS FOR TREATMENT OF RESPIRATORY, AIRWAY OR INFLAMMATORY DISORDERS ASTRAZENECA AB (SE) 2008-12-11 WO claimed
WO-2008150231-A1 NEW HETEROCYCLIC COMPOUNDS FOR TREATMENT OF RESPIRATORY, AIRWAY OR INFLAMMATORY DISORDERS ASTRAZENECA AB (SE) 2008-12-11 WO disclosed