SCHEMBL9440573

SCHEMBL9440573

NS(=O)(=O)Nc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 11/20 0.61
CA2 P00918 11/20 0.61
KIF11 P52732 1/20 0.54
FFAR4 Q5NUL3 1/20 0.50
CA12 O43570 3/20 0.48
CA9 Q16790 3/20 0.48
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 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
SCHEMBL10383134 0.85 VCAM1 (0.61) CA1CA2KIF11FFAR4CA12
SCHEMBL12557002 0.85 CA1 (0.56) CA1CA2KIF11FFAR4CA12
SCHEMBL1530124 0.82 CYP3A4 (0.48) CA1CA2FFAR4CA12CA9
SCHEMBL29702837 0.77 TSHR (0.50) CA1FFAR4CYP3A4TSHRALDH1A1
SCHEMBL28165237 0.77 TSHR (0.50) CA1FFAR4CYP3A4TSHRALDH1A1
SCHEMBL27989945 0.76 FFAR4 (0.58) CA1CA2FFAR4CA12CA9
Hydrochloric Acid SCHEMBL28375819 0.76 TSHR (0.48) CA1FFAR4CYP3A4TSHRALDH1A1
SCHEMBL27783754 0.76 CA2 (1.00) CA1CA2CA12CA9CYP3A4
SCHEMBL27915770 0.73 CA2 (0.72) CA1CA2CA12CA9CYP3A4
SCHEMBL27039902 0.73 ALDH1A1 (0.55) CYP3A4TSHRALDH1A1SMN1; SMN2MEN1

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
EP-0244177-B1 Method for processing light-sensitive silver halide color photographic material KONISHIROKU PHOTO IND (JP) 1994-05-04 EP disclosed