SCHEMBL11514739

SCHEMBL11514739

CNS(=O)(=O)c1ccccc1[N+](=O)[O-].[Na]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.67
CA2 P00918 2/20 0.67
MMP1 P03956 1/20 0.67
MMP2 P08253 1/20 0.67
MMP9 P14780 1/20 0.67
MMP8 P22894 1/20 0.67
MMP13 P45452 1/20 0.67
KMT2A Q03164 3/20 0.61
MEN1 O00255 2/20 0.61
THRB P10828 1/20 0.60
F2 P00734 1/20 0.56
PRSS1 P07477 1/20 0.56
PRSS2 P07478 1/20 0.56
PRSS3 P35030 1/20 0.56
ALDH1A1 P00352 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
GAA P10253 1/20 0.56
CYP19A1 P11511 1/20 0.55
PKM P14618 1/20 0.55
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL46064 0.98 CA1 (0.69) CA1CA2MMP1MMP2MMP9
SCHEMBL30339289 0.98 CA1 (0.69) CA1CA2MMP1MMP2MMP9
SCHEMBL11514727 0.96 CA1 (0.67) CA1CA2MMP1MMP2MMP9
SCHEMBL11514732 0.96 CA1 (0.67) CA1CA2MMP1MMP2MMP9
SCHEMBL17978584 0.81 CA1 (0.53) CA1CA2MMP1MMP2MMP9
SCHEMBL13026218 0.81 CA1 (0.65) CA1CA2MMP1MMP2MMP9
SCHEMBL9375398 0.80 CA1 (0.59) CA1CA2MMP1MMP2MMP9
SCHEMBL5810580 0.80 CA1 (0.69) CA1CA2MMP1MMP2MMP9
SCHEMBL30732635 0.80 CA1 (0.69) CA1CA2MMP1MMP2MMP9
SCHEMBL648427 0.80 CA1 (0.69) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4161524-A INSECTICIDES, MITICIDES, NEMATOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1979-07-17 US disclosed
US-4150155-A INSECTICIDES, NEMATOCIDES, MITICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1979-04-17 US disclosed
US-4134979-A INSECTICIDES, MITICIDES, NEMATOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1979-01-16 US disclosed