SCHEMBL8957274

SCHEMBL8957274

CC(=O)Nc1ccccc1[N+](=O)[O-].O=S(=O)(O)Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.63
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 4/20 0.54
LMNA P02545 3/20 0.54
MAPT P10636 2/20 0.54
PHGDH O43175 1/20 0.54
TP53 P04637 1/20 0.52
KCNMA1 Q12791 1/20 0.51
PDK1 Q15118 1/20 0.51
PDK2 Q15119 1/20 0.51
PDK3 Q15120 1/20 0.51
PDK4 Q16654 1/20 0.51
PDE7A Q13946 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA9 Q16790 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL733777 0.91 KMT2A (0.69) PKMKMT2AMEN1ALDH1A1MAPT
SCHEMBL29740651 0.91 KMT2A (0.69) PKMKMT2AMEN1ALDH1A1MAPT
Fluoride SCHEMBL28083677 0.89 KMT2A (0.67) PKMKMT2AMEN1ALDH1A1MAPT
Sulfuric Acid SCHEMBL28756502 0.78 POLB (0.63) PKMKMT2AMEN1ALDH1A1LMNA
SCHEMBL3120978 0.78 PKM (0.55) PKMKMT2AMEN1ALDH1A1LMNA
SCHEMBL11403606 0.78 KMT2A (0.57) KMT2AMEN1ALDH1A1CA1
SCHEMBL5841267 0.78 PKM (0.60) PKMKMT2AMEN1ALDH1A1LMNA
SCHEMBL11332310 0.77 KMT2A (0.73) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL6857920 0.77 KMT2A (0.73) PKMKMT2AMEN1ALDH1A1MAPT
SCHEMBL11147829 0.76 TDP1 (0.60) PKMKMT2AMEN1ALDH1A1LMNA

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-0600339-B1 Method for the preparation of sodium salts of aromatic sulphinic acids containing nitro groups BAYER AG (DE) 1996-01-10 EP disclosed
EP-0600339-A1 Method for the preparation of sodium salts of aromatic sulphinic acids containing nitro groups BAYER AG (DE) 1994-06-08 EP disclosed