SCHEMBL6848738

SCHEMBL6848738

NCC(=O)NS(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
MMP1 P03956 1/20 0.60
MMP2 P08253 1/20 0.60
MMP9 P14780 1/20 0.60
MMP8 P22894 1/20 0.60
MMP13 P45452 1/20 0.60
TDP1 Q9NUW8 1/20 0.57
F2 P00734 1/20 0.56
PRSS1 P07477 1/20 0.56
PRSS2 P07478 1/20 0.56
PRSS3 P35030 1/20 0.56
THRB P10828 1/20 0.56
ALDH1A1 P00352 3/20 0.54
GAA P10253 2/20 0.54
HPGD P15428 1/20 0.54
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51

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
SCHEMBL15524944 0.83 CA1 (0.66) CA1CA2MMP1MMP2MMP9
SCHEMBL2972420 0.83 CA1 (0.66) CA1CA2MMP1MMP2MMP9
SCHEMBL2476078 0.81 CA1 (0.68) CA1CA2MMP1MMP2MMP9
SCHEMBL2476076 0.81 CA1 (0.68) CA1CA2MMP1MMP2MMP9
SCHEMBL16549667 0.80 THRB (0.73) CA1CA2MMP1MMP2MMP9
SCHEMBL6851854 0.78 GBA1 (0.54) CA1CA2MEN1KMT2A
SCHEMBL17943495 0.78 CA1 (0.62) CA1CA2MMP1MMP2MMP9
SCHEMBL29570715 0.77 KMT2A (0.66) CA1CA2MMP1MMP2MMP9
SCHEMBL1029644 0.77 KMT2A (0.66) CA1CA2MMP1MMP2MMP9
SCHEMBL4176342 0.77 CA1 (0.60) CA1CA2MMP1MMP2MMP9

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
US-6774212-B2 FOR THERAPY OF VIRAL INFECTION OR AS AN ASSAY STANDARD OR REAGENT BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-08-10 US disclosed