SCHEMBL11849986

SCHEMBL11849986

NS(=O)(=O)c1cc(C(=O)Cl)cc([N+](=O)[O-])c1Oc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.49
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA9 Q16790 2/20 0.49
ALDH1A1 P00352 4/20 0.47
LMNA P02545 4/20 0.47
KDM4E B2RXH2 2/20 0.47
USP2 O75604 2/20 0.47
HPGD P15428 2/20 0.47
HIF1A Q16665 2/20 0.47
HSD17B10 Q99714 2/20 0.47
SLC6A4 P31645 1/20 0.47
NPSR1 Q6W5P4 3/20 0.44
TSHR P16473 1/20 0.44
BLM P54132 1/20 0.44
SLC12A2 P55011 1/20 0.44
HPSE Q9Y251 1/20 0.42
MEN1 O00255 1/20 0.39
TTR P02766 1/20 0.39
ALB P02768 1/20 0.39

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
SCHEMBL573640 0.90 KDM4E (0.58) CA2CA12CA1CA9ALDH1A1
SCHEMBL11840209 0.89 CA2 (0.50) CA2CA12CA1CA9ALDH1A1
SCHEMBL15677242 0.88 CA2 (0.49) CA2CA12CA1CA9ALDH1A1
SCHEMBL573787 0.86 VCAM1 (0.53) CA2CA12CA1CA9ALDH1A1
SCHEMBL11547921 0.82 ALDH1A1 (0.47) CA2CA12CA1CA9ALDH1A1
SCHEMBL11849551 0.82 ALDH1A1 (0.47) CA2CA12CA1CA9ALDH1A1
SCHEMBL29134644 0.80 CA2 (0.44) CA2CA12CA1CA9ALDH1A1
SCHEMBL11543992 0.80 TPMT (0.54) CA2CA12CA1CA9ALDH1A1
SCHEMBL572967 0.80 LMNA (0.47) CA2CA12CA1CA9ALDH1A1
SCHEMBL11547853 0.80 LMNA (0.52) CA2CA12CA1CA9ALDH1A1

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
US-3985777-A Sulphamyl-benzoic acid derivatives LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB (DK) 1976-10-12 US disclosed