SCHEMBL7058769

SCHEMBL7058769

O=C(OCc1ccccc1)C(CCc1ccc(Br)cc1[N+](=O)[O-])=NO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.37
MEN1 O00255 6/20 0.37
KMT2A Q03164 6/20 0.37
RAB9A P51151 5/20 0.37
NPC1 O15118 4/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MITF O75030 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
CCR6 P51684 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GLA P06280 1/20 0.35
CCR5 P51681 1/20 0.35
PTGER1 P34995 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ITGA4 P13612 1/20 0.35
ITGB7 P26010 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
SCHEMBL7058767 1.00 CTSD (0.37) CTSDMEN1KMT2ARAB9ANPC1
SCHEMBL7058044 0.88 KMT2A (0.40) CTSDMEN1KMT2ARAB9ANPC1
SCHEMBL7055656 0.87 NPC1 (0.45) CTSDMEN1KMT2ARAB9ANPC1
SCHEMBL7055655 0.87 NPC1 (0.45) CTSDMEN1KMT2ARAB9ANPC1
SCHEMBL7062401 0.87 ALDH1A1 (0.41) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL7062280 0.84 MAPT (0.41) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL7062277 0.84 MAPT (0.41) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL7057245 0.82 ABCB1 (0.39) CTSDMEN1KMT2ARAB9AMAPT
SCHEMBL7057243 0.82 ABCB1 (0.39) CTSDMEN1KMT2ARAB9AMAPT
SCHEMBL7059131 0.79 ALDH1A1 (0.38) MEN1KMT2ARAB9AMAPTALDH1A1

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