SCHEMBL1701616

SCHEMBL1701616

CNNS(=O)(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.67
MMP2 P08253 2/20 0.67
CA1 P00915 1/20 0.67
MMP1 P03956 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 0.65
MEN1 O00255 1/20 0.65
GAA P10253 1/20 0.62
HTT P42858 1/20 0.62
ALOX5 P09917 1/20 0.60
CYP19A1 P11511 1/20 0.58
CA5A P35218 1/20 0.58
F2 P00734 3/20 0.57
PRSS1 P07477 3/20 0.57
PRSS2 P07478 3/20 0.57
PRSS3 P35030 3/20 0.57
ALDH1A1 P00352 2/20 0.57
LMNA P02545 1/20 0.57

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
SCHEMBL922350 0.87 CA2 (0.71) CA2MMP2CA1MMP1MMP9
SCHEMBL13590904 0.83 CA2 (0.75) CA2MMP2CA1MMP1MMP9
SCHEMBL6362188 0.82 ALOX5 (0.69) CA2MMP2CA1MMP1MMP9
SCHEMBL1700168 0.80 CA2 (0.71) CA2MMP2CA1MMP1MMP9
SCHEMBL4495753 0.80 CA2 (0.71) CA2MMP2CA1MMP1MMP9
SCHEMBL12000920 0.80 CA2 (1.00) CA2MMP2CA1MMP1MMP9
SCHEMBL2956545 0.80 CA2 (0.71) CA2MMP2CA1MMP1MMP9
SCHEMBL17526270 0.79 CA2 (0.66) CA2MMP2CA1MMP1MMP9
SCHEMBL5188248 0.79 CA2 (0.65) CA2MMP2CA1MMP1MMP9
SCHEMBL922441 0.79 KMT2A (0.77) CA2MMP2CA1MMP1MMP9

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
EP-2576546-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbvie Inc. (US) 2013-04-10 EP disclosed
WO-2011149492-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-12-01 WO disclosed