SCHEMBL7057243

SCHEMBL7057243

COC(=O)/C(CCc1ccc(Br)cc1[N+](=O)[O-])=N\O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.39
ABCC1 P33527 1/20 0.39
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
PKM P14618 3/20 0.37
RAB9A P51151 1/20 0.37
CTSD P07339 1/20 0.36
MAPT P10636 5/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDGFRB P09619 1/20 0.35

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
SCHEMBL7057245 1.00 ABCB1 (0.39) ABCB1ABCC1MAPK1KDM4EALDH1A1
SCHEMBL7062280 0.88 MAPT (0.41) MAPK1KDM4EALDH1A1TDP1PKM
SCHEMBL7062277 0.88 MAPT (0.41) MAPK1KDM4EALDH1A1TDP1PKM
SCHEMBL7059131 0.87 ALDH1A1 (0.38) ABCB1ABCC1MAPK1KDM4EALDH1A1
SCHEMBL7059129 0.87 ALDH1A1 (0.38) ABCB1ABCC1MAPK1KDM4EALDH1A1
SCHEMBL7058654 0.86 ABCB1 (0.43) ABCB1ABCC1MAPK1KDM4EALDH1A1
SCHEMBL7061740 0.85 PKM (0.43) ALDH1A1TDP1PKMRAB9ACTSD
SCHEMBL7061738 0.85 PKM (0.43) ALDH1A1TDP1PKMRAB9ACTSD
SCHEMBL7061549 0.82 NPSR1 (0.48) MAPK1KDM4EALDH1A1RAB9AMAPT
SCHEMBL7058767 0.82 CTSD (0.37) MAPK1ALDH1A1RAB9ACTSDMAPT

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