SCHEMBL29787232

SCHEMBL29787232

NS(=O)(=O)c1ccc(C(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.65
CA12 O43570 7/20 0.65
CA9 Q16790 7/20 0.65
CA1 P00915 6/20 0.65
VCAM1 P19320 1/20 0.58
MAPT P10636 5/20 0.54
ALDH1A1 P00352 3/20 0.54
KMT2A Q03164 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
POLB P06746 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
DOT1L Q8TEK3 1/20 0.52
CA5A P35218 1/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL9795946 1.00 CA2 (0.65) CA2CA12CA9CA1VCAM1
Hydrochloric Acid SCHEMBL11779151 0.98 CA2 (0.63) CA2CA12CA9CA1VCAM1
SCHEMBL11779143 0.85 CA2 (0.63) CA2CA12CA9CA1VCAM1
SCHEMBL1533651 0.85 ALDH1A1 (0.54) CA2CA12CA9CA1VCAM1
Hydrogen Peroxide SCHEMBL28991385 0.83 ALDH1A1 (0.56) CA2CA12CA9CA1MAPT
SCHEMBL1202449 0.83 ALDH1A1 (0.56) CA2CA12CA9CA1MAPT
Hydrochloric Acid SCHEMBL9617579 0.82 ALDH1A1 (0.55) CA2CA12CA9CA1MAPT
SCHEMBL28435633 0.82 ALDH1A1 (0.55) CA2CA12CA9CA1MAPT
SCHEMBL9752018 0.81 HTT (0.44) CA2CA12CA9CA1VCAM1
SCHEMBL34474361 0.80 ALDH1A1 (0.60) VCAM1MAPTALDH1A1KMT2AMEN1

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-12467928-B2 N-terminal modifier agents and binders for treating and analyzing peptides DF PEPTIDE ACQUISITION LLC 2025-11-11 US disclosed
US-20240377408-A1 N-TERMINAL MODIFIER AGENTS AND BINDERS FOR TREATING AND ANALYZING PEPTIDES DF PEPTIDE ACQUISITION LLC 2024-11-14 US disclosed
US-20220283175-A1 METALLOENZYMES FOR BIOMOLECULAR RECOGNITION OF N-TERMINAL MODIFIED PEPTIDES Encodia, Inc. (US) 2022-09-08 US disclosed