SCHEMBL6249277

SCHEMBL6249277

N#[N+]CC(=O)Nc1cccc(S(=O)(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 11/20 0.51
CA2 P00918 11/20 0.51
CASR P41180 3/20 0.49
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
MITF O75030 1/20 0.46
HTT P42858 1/20 0.46
NOD2 Q9HC29 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CA12 O43570 3/20 0.43
CA9 Q16790 3/20 0.43
CA4 P22748 2/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL28816108 0.81 CA1 (0.56) CA1CA2CASRALDH1A1LMNA
SCHEMBL9320423 0.79 CA1 (0.56) CA1CA2CASRALDH1A1LMNA
SCHEMBL5705537 0.79 CA1 (0.57) CA1CA2CASRALDH1A1LMNA
Potassium SCHEMBL11516876 0.79 CA1 (0.54) CA1CA2CASRALDH1A1LMNA
SCHEMBL11516870 0.79 CA1 (0.54) CA1CA2CASRALDH1A1LMNA
SCHEMBL9864427 0.78 CA1 (0.55) CA1CA2CASRALDH1A1LMNA
SCHEMBL11564480 0.78 ALDH1A1 (0.53) CA1CA2CASRALDH1A1LMNA
SCHEMBL11794595 0.78 CA1 (0.54) CA1CA2CASRALDH1A1LMNA
SCHEMBL11334838 0.77 CA12 (0.65) CA1CA2CASRALDH1A1LMNA
SCHEMBL27640149 0.76 EPHX2 (0.55) ALDH1A1LMNAHTTMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1563012-A1 TRISAZO DYES FOR INKS FOR INK JET PRINTING Avecia Inkjet Limited (GB) 2005-08-17 EP disclosed
WO-2004046252-A1 TRISAZO DYES FOR INKS FOR INK JET PRINTING AVECIA INKJET LIMITED (GB) 2004-06-03 WO disclosed