SCHEMBL7056959

SCHEMBL7056959

O=C(OCc1ccccc1)/C(CCc1ccc(Cl)cc1)=N\O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CTBP2 P56545 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
PLAAT3 P53816 3/20 0.46
PLAAT5 Q96KN8 3/20 0.46
PLAAT2 Q9NWW9 3/20 0.46
PLAAT4 Q9UL19 3/20 0.46
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PDPK1 O15530 1/20 0.44
FFAR1 O14842 2/20 0.43
FFAR4 Q5NUL3 2/20 0.43

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
SCHEMBL7056964 1.00 MEN1 (0.50) MEN1KMT2ACTBP2L3MBTL1POLB
SCHEMBL7061545 0.92 TDP1 (0.50) KMT2ACTBP2L3MBTL1HTTALDH1A1
SCHEMBL7059114 0.88 CTBP2 (0.52) MEN1KMT2ACTBP2PLAAT3PLAAT5
SCHEMBL7059112 0.88 CTBP2 (0.52) MEN1KMT2ACTBP2PLAAT3PLAAT5
SCHEMBL7058664 0.86 LMNA (0.47) CTBP2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7058666 0.86 LMNA (0.47) CTBP2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7057254 0.84 NPC1 (0.55) MEN1KMT2ACTBP2L3MBTL1MAPT
SCHEMBL7642801 0.83 HDAC1 (0.54) KMT2ACTBP2L3MBTL1MAPTHTT
SCHEMBL7061713 0.83 PLAAT3 (0.57) MEN1KMT2AL3MBTL1POLBMAPT
SCHEMBL7060327 0.82 MAPT (0.52) MEN1KMT2AL3MBTL1MAPTHTT

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