SCHEMBL7059417

SCHEMBL7059417

CCOC(=O)/C(CCc1ccc(Cl)cc1[N+](=O)[O-])=N\O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 7/20 0.41
TDP1 Q9NUW8 3/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PKM P14618 1/20 0.39
KCNMA1 Q12791 1/20 0.39
KYAT1 Q16773 2/20 0.38
HPGD P15428 1/20 0.38
PDK1 Q15118 1/20 0.38
ACLY P53396 1/20 0.38
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38

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
SCHEMBL7059420 1.00 MEN1 (0.42) MEN1KMT2AL3MBTL1MAPTTDP1
SCHEMBL7061740 0.88 PKM (0.43) MEN1KMT2AL3MBTL1MAPTTDP1
SCHEMBL7061738 0.88 PKM (0.43) MEN1KMT2AL3MBTL1MAPTTDP1
SCHEMBL7058507 0.87 MEN1 (0.46) MEN1KMT2AL3MBTL1MAPTTDP1
SCHEMBL7062280 0.86 MAPT (0.41) MEN1KMT2AL3MBTL1MAPTTDP1
SCHEMBL7062277 0.86 MAPT (0.41) MEN1KMT2AL3MBTL1MAPTTDP1
SCHEMBL7154251 0.85 MEN1 (0.39) MEN1KMT2AL3MBTL1MAPTTDP1
SCHEMBL7154247 0.85 MEN1 (0.39) MEN1KMT2AL3MBTL1MAPTTDP1
SCHEMBL7055656 0.84 NPC1 (0.45) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL7055655 0.84 NPC1 (0.45) MEN1KMT2AL3MBTL1MAPTALDH1A1

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
EP-0937703-B1 METHOD FOR PURIFYING PYRUVIC ACID COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2003-05-21 EP disclosed
US-6348617-B1 REACTING PYRUVIC ACID COMPOUND IN WATER WITH AMMONIUM OR ALKALI METAL BISULFITE TO GIVE AQUEOUS SOLUTION OF BISULFITE ADDUCT, ISOLATING BY PHASE SEPARATION, OPTIONALLY USING HYDROPHOBIC SOLVENT, CONTACTING WITH ACID TO DECOMPOSE ADDUCT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-02-19 US disclosed
EP-0937703-A1 METHOD FOR PURIFYING PYRUVIC ACID COMPOUNDS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-08-25 EP disclosed