SCHEMBL11268838

SCHEMBL11268838

CCOC(=O)n1c([N+](=O)[O-])nc(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
POLB P06746 1/20 0.43
HTR7 P34969 1/20 0.42
MAPT P10636 6/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 2/20 0.42
RECQL P46063 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.42
THRB P10828 1/20 0.42
KMT2A Q03164 1/20 0.42
PTGS2 P35354 2/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TARBP2 Q15633 1/20 0.41
PDCD4 Q53EL6 1/20 0.41
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
RAB9A P51151 1/20 0.40
HTT P42858 2/20 0.40

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
SCHEMBL11268555 0.86 HTR7 (0.47) GAAHTR7MAPTSMN1; SMN2LMNA
SCHEMBL11270591 0.80 CNR2 (0.50) MAPTSMN1; SMN2LMNAL3MBTL1MEN1
SCHEMBL11267467 0.79 HTR7 (0.41) POLBHTR7MAPTSMN1; SMN2LMNA
SCHEMBL2951932 0.69 RAB9A (0.52) GAAHTR7MAPTSMN1; SMN2LMNA
SCHEMBL12152159 0.69 CNR2 (0.40) GAAPOLBMAPTSMN1; SMN2LMNA
SCHEMBL9273102 0.69 POLB (0.52) GAAPOLBMAPTSMN1; SMN2L3MBTL1
SCHEMBL27199775 0.67 LMNA (0.49) GAAHTR7LMNAMEN1KMT2A
SCHEMBL12743209 0.66 MAPT (0.39) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL2957488 0.66 HTR7 (0.53) GAAPOLBHTR7MAPTSMN1; SMN2
SCHEMBL7995686 0.66 TEK (0.58) GAAMAPTSMN1; SMN2LMNAL3MBTL1

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-1281561-C Compound with base skeleton of 1,6-methylene-[10]-annulene and use thereof SHANGHAI INST ORGANIC CHEM (CN) 2006-10-25 CN disclosed
CN-1450032-A Compound with base skeleton of 1,6-methylene-[10]-annulene and use thereof SHANGHAI INST ORGANIC CHEM (CN) 2003-10-22 CN disclosed
EP-0008755-B1 ANTIINFLAMMATORY 4,5-DIARYL-2-NITROIMIDAZOLES, METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THEM E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-04-21 EP disclosed
US-4251535-A ANTIARTHRITIC AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-02-17 US disclosed
US-4199592-A Antiinflammatory 4,5-diaryl-2-nitroimidazoles E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-04-22 US disclosed
EP-0009008-A2 Cephalosporin derivatives, process for their preparation and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1980-03-19 EP disclosed
EP-0008755-A1 Antiinflammatory 4,5-diaryl-2-nitroimidazoles, method for their preparation and pharmaceutical composition containing them E.I. DU PONT DE NEMOURS AND COMPANY (US) 1980-03-19 EP disclosed