SCHEMBL6438271

SCHEMBL6438271

O=[N+]([O-])COc1ccc2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGXT P21549 2/20 0.53
KDM4E B2RXH2 2/20 0.52
MAPK1 P28482 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
PTPN7 P35236 1/20 0.51
ALOX5 P09917 1/20 0.50
MAPT P10636 3/20 0.48
HTT P42858 2/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
THRB P10828 1/20 0.47
MCL1 Q07820 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
PPARG P37231 1/20 0.46
NCOA2 Q15596 1/20 0.46
NCOA1 Q15788 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL9504158 0.80 MAPT (0.44) MAPK1MAPTALDH1A1LMNAMEN1
SCHEMBL3889092 0.78 KCNA3 (0.46) MAPTHTTALDH1A1LMNAMEN1
SCHEMBL7465418 0.76 HDAC1 (0.46) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL7465350 0.75 ALOX5 (0.48) ALOX5TLR4TLR2
SCHEMBL17816152 0.74 AGXT (0.63) AGXTKDM4EMAPK1TDP1PTPN7
SCHEMBL13978073 0.74 AGXT (0.63) AGXTKDM4EMAPK1TDP1PTPN7
SCHEMBL3624437 0.74 AGXT (0.63) AGXTKDM4EMAPK1TDP1PTPN7
SCHEMBL16902860 0.73 AGXT (0.68) AGXTKDM4EMAPK1TDP1PTPN7
SCHEMBL16902851 0.73 TDP1 (0.87) AGXTKDM4EMAPK1TDP1PTPN7
SCHEMBL28109399 0.73 MAOB (0.48) KDM4EMAPK1TDP1HTTALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114057588-B Synthesis method of 8-amino-2-naphthol 大连双硼医药化工有限公司 2024-01-26 CN disclosed
EP-1572203-A1 SUBSTITUTED 4-ALKOXYOXAZOL DERIVATIVES AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-14 EP disclosed
EP-1537091-A1 NOVEL 2-ARYLTHIAZOLE COMPOUNDS AS PPARALPHA AND PPARGAMMA AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2005-06-08 EP disclosed
WO-2004041275-A1 SUBSTITUTED 4-ALKOXYOXAZOL DERIVATIVES AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-05-21 WO disclosed
WO-2004020420-A1 NOVEL 2-ARYLTHIAZOLE COMPOUNDS AS PPARALPHA AND PPARGAMA AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2004-03-11 WO disclosed
EP-1392295-A1 CARBOXYLIC ACID SUBSTITUTED OXAZOLE DERIVATIVES FOR USE AS PPAR-ALPHA AND -GAMMA ACTIVATORS IN THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2004-03-03 EP disclosed
WO-2002092084-A1 CARBOXYLIC ACID SUBSTITUTED OXAZOLE DERIVATIVES FOR USE AS PPAR-ALPHA AND -GAMMA ACTIVATORS IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2002-11-21 WO disclosed