SCHEMBL7060237

SCHEMBL7060237

COC(=O)C(/C=N\O)CCc1ccc2ccccc2c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 1/20 0.42
TSHR P16473 1/20 0.40
GAA P10253 1/20 0.35
MAPT P10636 4/20 0.35
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
LMNA P02545 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HSP90AA1 P07900 2/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 1/20 0.35
MITF O75030 1/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35
TLR9 Q9NR96 1/20 0.35
CYP3A4 P08684 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34

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
SCHEMBL7061775 0.91 TSHR (0.41) NCEH1TSHRMAPTALDH1A1MEN1
SCHEMBL7059826 0.90 NCEH1 (0.39) NCEH1TSHRMAPTALDH1A1MEN1
SCHEMBL7056480 0.87 NPC1 (0.39) NCEH1TSHRGAAMAPTALDH1A1
SCHEMBL7060403 0.83 ALDH1A1 (0.39) NCEH1GAAMAPTALDH1A1MEN1
SCHEMBL7061548 0.81 ALDH1A1 (0.48) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL7056410 0.81 NCEH1 (0.48) NCEH1TSHRMAPTALDH1A1MEN1
SCHEMBL7061000 0.74 L3MBTL1 (0.39) NCEH1GAAMAPTALDH1A1MEN1
SCHEMBL7060240 0.74 NCEH1 (0.46) NCEH1TSHRMAPTALDH1A1MEN1
SCHEMBL7057071 0.74 NCEH1 (0.50) NCEH1TSHRMAPTALDH1A1MEN1
SCHEMBL7061759 0.74 GAA (0.43) GAAMAPTALDH1A1MEN1KMT2A

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