SCHEMBL8626672

SCHEMBL8626672

C=CCOS(=O)(=O)c1cc(N)cnc1[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL8596306 0.81 KDM4E (0.36)
SCHEMBL8598890 0.78 TSHR (0.34) CA12CA1CA2CA9
SCHEMBL8602041 0.78 KDM4E (0.38)
SCHEMBL8634277 0.77 CYP19A1 (0.37) CA12CA1CA2CA7CA9
SCHEMBL8568512 0.77 CA1 (0.41) CA12CA1CA2CA7CA9
SCHEMBL8633335 0.76 CA12 (0.33) CA12CA1CA2CA7CA9
SCHEMBL8628187 0.76 CA12 (0.35) CA12CA1CA2CA7CA9
SCHEMBL8629441 0.76 ALDH1A1 (0.39) CA12CA1CA2CA7CA9
SCHEMBL8567243 0.75 CA2 (0.38) CA12CA1CA2CA7CA9
SCHEMBL8560405 0.74 NT5E (0.43) CA12CA1CA2CA9

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
EP-0735025-B1 Process for producing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1998-07-01 EP disclosed
US-5648496-A AMINATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-15 US disclosed
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed