SCHEMBL6947524

SCHEMBL6947524

O=[C]Cc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
CYP3A4 P08684 1/20 0.47
CASP6 P55212 1/20 0.43
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
ATM Q13315 1/20 0.41
MAPK1 P28482 1/20 0.37
KAT2B Q92831 1/20 0.37
ALDH1A1 P00352 4/20 0.37
HPGD P15428 1/20 0.37
SNCA P37840 1/20 0.37
POLB P06746 1/20 0.36
GPR35 Q9HC97 1/20 0.36
HIF1A Q16665 1/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTT P42858 1/20 0.35

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
SCHEMBL6950412 0.85 ALDH1A1 (0.55) TDP1ATMALDH1A1HIF1AMAPT
SCHEMBL291089 0.84 POLB (0.54) TSHRMAPK1ALDH1A1HPGDSNCA
SCHEMBL27837847 0.84 MAPT (0.49) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL18138457 0.78 TSHR (0.52) TSHRCYP3A4CASP6HTR1ADRD2
SCHEMBL10335845 0.77 TSHR (0.43) TSHRCYP3A4CASP6HTR1ADRD2
SCHEMBL515466 0.76 MAPT (0.54) TSHRCYP3A4CASP6HTR1ADRD2
SCHEMBL10959235 0.76 TSHR (0.55) TSHRCYP3A4CASP6HTR1ADRD2
SCHEMBL1117240 0.76 TSHR (0.50) TSHRCYP3A4CASP6HTR1ADRD2
SCHEMBL6673172 0.76 TSHR (0.50) TSHRCYP3A4CASP6HTR1ADRD2
SCHEMBL11695666 0.76 TSHR (0.50) TSHRCYP3A4CASP6HTR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1230223-B1 OLIGOBENZIMIDAZOLE DERIVATIVES AND THEIR USE AS DNA TRANSFECTION AGENTS AVENTIS PHARMA SA (FR) 2004-02-25 EP disclosed
EP-1230223-A1 OLIGOBENZIMIDAZOLE DERIVATIVES AND THEIR USE AS DNA TRANSFECTION AGENTS Aventis Pharma S.A. (FR) 2002-08-14 EP disclosed
WO-2001032630-A1 OLIGOBENZIMIDAZOLE DERIVATIVES AND THEIR USE AS DNA TRANSFECTION AGENTS AVENTIS PHARMA S.A. (FR) 2001-05-10 WO disclosed