SCHEMBL7060602

SCHEMBL7060602

O=C(OCc1ccccc1)C(/C=N\O)CCc1c([N+](=O)[O-])ccc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
MAPT P10636 4/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 4/20 0.35
MITF O75030 1/20 0.35
MAPK1 P28482 1/20 0.35
CCR6 P51684 1/20 0.35
CTSL P07711 3/20 0.34
CTSV O60911 1/20 0.34
CASP1 P29466 1/20 0.33
CTSB P07858 1/20 0.33
ITGA4 P13612 1/20 0.33

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 0.88 L3MBTL1 (0.39) RAB9AMAPTLMNANPSR1HPGD
SCHEMBL7060403 0.87 ALDH1A1 (0.39) MAPTHPGDKMT2AMEN1KDM4E
SCHEMBL7057126 0.85 MAPT (0.35) MAPTLMNANPSR1HPGDKMT2A
SCHEMBL7056480 0.84 NPC1 (0.39) NPC1RAB9AMAPTLMNAHTT
SCHEMBL7062399 0.82 KMT2A (0.42) NPC1RAB9AHPGDKMT2AMEN1
SCHEMBL7061458 0.81 KMT2A (0.38) NPC1RAB9AMAPTLMNAHTT
SCHEMBL7058681 0.78 CTSL (0.50) NPC1RAB9AMAPTLMNASMN1; SMN2
SCHEMBL7060323 0.78 CTSL (0.50) NPC1RAB9AMAPTLMNASMN1; SMN2
SCHEMBL7062572 0.77 MAPT (0.42) NPC1RAB9AMAPTLMNAHTT
SCHEMBL7061544 0.77 ALDH1A1 (0.44) LMNAKMT2AALDH1A1MAPK1CTSL

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