SCHEMBL6813422

SCHEMBL6813422

CN(N)S(=O)(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.63
CA5A P35218 1/20 0.63
KMT2A Q03164 3/20 0.62
GAA P10253 1/20 0.62
HTT P42858 1/20 0.62
CA1 P00915 1/20 0.54
MMP1 P03956 1/20 0.54
MMP2 P08253 1/20 0.54
MMP9 P14780 1/20 0.54
MMP8 P22894 1/20 0.54
MMP13 P45452 1/20 0.54
F2 P00734 3/20 0.54
PRSS1 P07477 3/20 0.54
PRSS2 P07478 3/20 0.54
PRSS3 P35030 3/20 0.54
MEN1 O00255 2/20 0.53
MAPT P10636 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
LMNA P02545 2/20 0.50
TSHR P16473 1/20 0.50

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
Hydrochloric Acid SCHEMBL3647553 0.98 CA2 (0.61) CA2CA5AKMT2AGAAHTT
SCHEMBL854501 0.87 KMT2A (0.66) CA2CA5AKMT2AGAAHTT
SCHEMBL30213213 0.87 KMT2A (0.66) CA2CA5AKMT2AGAAHTT
SCHEMBL28133547 0.84 CA2 (0.63) CA2CA5AKMT2AGAAHTT
SCHEMBL4067617 0.83 KMT2A (0.60) CA2CA5AKMT2AGAAHTT
SCHEMBL8247534 0.81 VCAM1 (0.59) CA2CA5AKMT2AGAAHTT
SCHEMBL4589706 0.81 SMN1; SMN2 (0.63) CA2CA5AKMT2AGAAHTT
SCHEMBL6534914 0.80 KMT2A (0.57) CA2CA5AKMT2AGAAHTT
SCHEMBL14574198 0.79 MAPT (0.57) CA2CA5AKMT2AGAAHTT
SCHEMBL31527772 0.78 CA2 (1.00) CA2CA5AKMT2AGAAHTT

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-2004017950-A2 PHOSPHADIDYLINOSITOL 3,5-BIPHOSPHATE INHIBITORS AS ANTI-VIRAL AGENTS PIRAMED LIMITED (GB) 2004-03-04 WO disclosed