SCHEMBL8566587

SCHEMBL8566587

NS(=O)(=O)c1cnccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA12 O43570 15/20 0.51
CA2 P00918 15/20 0.51
CA9 Q16790 15/20 0.51
CA1 P00915 14/20 0.51
CA14 Q9ULX7 12/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 2/20 0.42

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
SCHEMBL8758650 0.86 MEN1 (0.53) CA12CA2CA9CA1CA14
SCHEMBL8562782 0.82 KMT2A (0.43) CA2CA1MEN1KMT2A
SCHEMBL5700184 0.82 KMT2A (0.43) CA12CA2CA9CA1CA14
SCHEMBL27462207 0.80 MAPT (0.43) CA12CA2CA9CA1CA14
SCHEMBL8598731 0.74 ALDH1A1 (0.40) CA12CA2CA9CA1CA14
SCHEMBL8568179 0.74 ALDH1A1 (0.53) MEN1KMT2ALMNA
SCHEMBL8567922 0.73 ALDH1A1 (0.57) CA12CA2CA9CA1CA14
SCHEMBL2602388 0.73 ALDH1A1 (0.50) MEN1KMT2ALMNA
SCHEMBL29547967 0.73 ALDH1A1 (0.49) MEN1KMT2ALMNA
SCHEMBL1284068 0.73 MAPT (0.53) MEN1KMT2ALMNA

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