SCHEMBL11267467

SCHEMBL11267467

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.41
LMNA P02545 5/20 0.38
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.36
PTGS2 P35354 1/20 0.36
CASR P41180 1/20 0.35
MAPT P10636 4/20 0.35
ALDH1A1 P00352 3/20 0.35
PPARG P37231 1/20 0.35
CRHBP P24387 1/20 0.35
HTT P42858 1/20 0.35
CRHR2 Q13324 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
APP P05067 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
RECQL P46063 1/20 0.34
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL10998182 0.80 KDM4E (0.40) LMNAKDM4EPTGS2CASRMAPT
SCHEMBL11268838 0.79 GAA (0.43) HTR7LMNAKDM4EPOLBPTGS2
SCHEMBL11268555 0.77 HTR7 (0.47) HTR7LMNAKDM4EPTGS2MAPT
SCHEMBL11178939 0.75 PTGS2 (0.38) LMNAKDM4EPOLBPTGS2MAPT
SCHEMBL11270591 0.71 CNR2 (0.50) LMNAKDM4EPTGS2MAPTALDH1A1
SCHEMBL10993264 0.69 PTGS2 (0.49) LMNAKDM4EPTGS2MAPTALDH1A1
SCHEMBL7084443 0.68 PTGS2 (0.43) PTGS2
SCHEMBL9791608 0.66 FAAH (0.45) LMNAKDM4EPOLBMAPTALDH1A1
SCHEMBL2951932 0.65 RAB9A (0.52) HTR7LMNAKDM4EMAPTALDH1A1
SCHEMBL11083061 0.65 MAPK14 (0.52) PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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