SCHEMBL11268555

SCHEMBL11268555

COc1ccc(-c2nc([N+](=O)[O-])n(C(C)=O)c2-c2ccc(OC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.47
PTGS2 P35354 2/20 0.46
MAPT P10636 6/20 0.43
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
PKM P14618 2/20 0.43
RECQL P46063 1/20 0.43
THRB P10828 1/20 0.43
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
USP2 O75604 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MDM2 Q00987 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 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
SCHEMBL11268838 0.86 GAA (0.43) HTR7PTGS2MAPTLMNASMN1; SMN2
SCHEMBL11270591 0.85 CNR2 (0.50) PTGS2MAPTLMNASMN1; SMN2MEN1
SCHEMBL11267467 0.77 HTR7 (0.41) HTR7PTGS2MAPTLMNASMN1; SMN2
SCHEMBL2951932 0.71 RAB9A (0.52) HTR7MAPTLMNASMN1; SMN2MEN1
SCHEMBL2957488 0.68 HTR7 (0.53) HTR7MAPTLMNASMN1; SMN2MEN1
SCHEMBL2957412 0.67 MAPT (0.48) HTR7PTGS2MAPTLMNASMN1; SMN2
SCHEMBL5262166 0.67 APP (0.45) HTR7MAPTLMNASMN1; SMN2MEN1
SCHEMBL12152159 0.66 CNR2 (0.40) PTGS2MAPTLMNASMN1; SMN2MEN1
SCHEMBL11273959 0.66 NOX1 (0.54) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL18449581 0.65 APP (0.60) MAPTLMNASMN1; SMN2MEN1KMT2A

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