SCHEMBL8167083

SCHEMBL8167083

COc1ccc(C(OCc2c[nH]c(=O)[nH]c2=O)[N+](=O)[O-])cc1OC

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
THRB P10828 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
TNF P01375 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
SCHEMBL1734014 0.74 CYP2C19 (0.47) ALDH1A1CYP2C19MAPTSMN1; SMN2KDM4E
SCHEMBL8166900 0.72 ALDH1A1 (0.41) ALDH1A1CYP2C19MAPTSMN1; SMN2KDM4E
SCHEMBL8166897 0.72 ALDH1A1 (0.43) ALDH1A1CYP2C19MAPTSMN1; SMN2KDM4E
SCHEMBL8941120 0.71 CA2 (0.53)
SCHEMBL25771 0.70 ALDH1A1 (0.45) ALDH1A1CYP2C19MAPTKMT2ATDP1
SCHEMBL1144951 0.70 ATAD2 (0.39)
SCHEMBL17682900 0.68 ATAD2 (0.42)
SCHEMBL9227461 0.68 ALDH1A1 (0.45) ALDH1A1CYP2C19MAPTKDM4EKMT2A
SCHEMBL8505313 0.67 CYP2C19 (0.50) ALDH1A1CYP2C19MAPTKDM4EKMT2A
SCHEMBL30753113 0.66 MEN1 (0.44) ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1041159-A2 Method, oligonucleotides suitable for the degradation of in vitro synthesized nucleic acid molecules MIRA Diagnostika GmbH (DE) 2000-10-04 EP claimed
WO-1999050447-A1 METHOD AND NUCLEIC ACID COMPOUND FOR BREAKING DOWN NUCLEIC ACID MOLECULES SYNTHESIZED $i(IN VITRO) MIRA DIAGNOSTIKA GMBH (DE) 1999-10-07 WO claimed
EP-1041159-A2 Method, oligonucleotides suitable for the degradation of in vitro synthesized nucleic acid molecules MIRA Diagnostika GmbH (DE) 2000-10-04 EP disclosed
EP-1038974-A1 Method, oligonucleotides suitable for the degradation of in vitro synthezised nucleic acid molecules Mira Diagnostica GmbH (DE) 2000-09-27 EP disclosed
WO-1999050447-A1 METHOD AND NUCLEIC ACID COMPOUND FOR BREAKING DOWN NUCLEIC ACID MOLECULES SYNTHESIZED $i(IN VITRO) MIRA DIAGNOSTIKA GMBH (DE) 1999-10-07 WO disclosed