SCHEMBL7062399

SCHEMBL7062399

O=C(OCc1ccccc1)C(/C=N\O)CCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 1/20 0.39
SNCA P37840 1/20 0.39
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
CTSL P07711 2/20 0.38
CTSB P07858 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
POLB P06746 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
MAOB P27338 1/20 0.38
KDM4A O75164 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL7058681 0.86 CTSL (0.50) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL7060323 0.86 CTSL (0.50) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL7062420 0.86 L3MBTL1 (0.46) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL7061544 0.85 ALDH1A1 (0.44) KMT2AALDH1A1CTSL
SCHEMBL7061548 0.85 ALDH1A1 (0.48) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL7060048 0.83 POLB (0.43) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL7057963 0.82 NPC1 (0.41) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL7056480 0.82 NPC1 (0.39) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL7060602 0.82 NPC1 (0.36) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL7056809 0.82 KMT2A (0.41) KMT2AMEN1NPC1RAB9AALDH1A1

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