SCHEMBL7060403

SCHEMBL7060403

COC(=O)C(/C=N\O)CCc1c([N+](=O)[O-])ccc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
MAPT P10636 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.39
NCEH1 Q6PIU2 4/20 0.38
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.34
RRM1 P23921 1/20 0.34
HPRT1 P00492 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
SCHEMBL7061000 0.91 L3MBTL1 (0.39) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL7057126 0.90 MAPT (0.35) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL7060602 0.87 NPC1 (0.36) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL7060237 0.83 NCEH1 (0.42) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL7061548 0.81 ALDH1A1 (0.48) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL7058542 0.81 NCEH1 (0.43) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL7061775 0.74 TSHR (0.41) ALDH1A1MAPTMEN1KMT2ANCEH1
SCHEMBL7060407 0.74 MAPT (0.44) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL7060413 0.74 MAPT (0.48) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL7059826 0.73 NCEH1 (0.39) ALDH1A1MAPTMEN1KMT2ANCEH1

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