SCHEMBL2471909

SCHEMBL2471909

O=[N+]([O-])c1cccc(N2CC2)c1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.54
KMT2A Q03164 3/20 0.54
GPR35 Q9HC97 2/20 0.52
TSHR P16473 1/20 0.52
MAPT P10636 5/20 0.48
L3MBTL1 Q9Y468 4/20 0.48
ALDH1A1 P00352 3/20 0.48
MITF O75030 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 2/20 0.48
LMNA P02545 1/20 0.48
CCR6 P51684 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CTSB P07858 2/20 0.46
AR P10275 1/20 0.46
GRM5 P41594 1/20 0.46
MEN1 O00255 2/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
HSD11B1 P28845 1/20 0.45

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
SCHEMBL12128754 0.92 MAPT (0.52) HTTKMT2ATSHRMAPTL3MBTL1
SCHEMBL6663091 0.89 MAPT (0.52) GPR35TSHRMAPTALDH1A1SMN1; SMN2
SCHEMBL1248698 0.88 GRM5 (0.53) HTTKMT2AGPR35MAPTL3MBTL1
SCHEMBL1248699 0.88 GRM5 (0.53) HTTKMT2AGPR35MAPTL3MBTL1
SCHEMBL1274938 0.82 HTT (0.73) HTTKMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL1247295 0.81 MAPT (0.59) KMT2AMAPTL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL1926046 0.77 TSHR (0.71) KMT2AGPR35TSHRALDH1A1SMN1; SMN2
SCHEMBL118464 0.77 TSHR (0.71) KMT2AGPR35TSHRALDH1A1SMN1; SMN2
SCHEMBL9059478 0.76 CTSB (0.56) KMT2AMAPTL3MBTL1ALDH1A1MITF
SCHEMBL29937743 0.76 CTSB (0.65) HTTKMT2AMAPTL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1017835-A4 METHODS OF USING CYTOCHROME P450 REDUCTASE FOR THE ENHANCEMENT OF P450-BASED ANTI-CANCER GENE THERAPY UNIV BOSTON (US) 2005-01-26 EP claimed
US-6207648-B1 USE OF NADPH-CYTOCHROME P450 REDUCTASE GENE TRANSFER IN COMBINATION WITH CYTOCHROME P450 GENE TRANSFER TO ENHANCE THE SENSITIVITY OF TUMOR CELLS TO ANTI-CANCER DRUGS THAT ARE ACTIVATED BY P450 ENZYMES TRUSTEES OF BOSTON UNIVERSITY 2001-03-27 US claimed
EP-1017835-A1 METHODS OF USING CYTOCHROME P450 REDUCTASE FOR THE ENHANCEMENT OF P450-BASED ANTI-CANCER GENE THERAPY Trustees of Boston University (US) 2000-07-12 EP claimed
WO-1999005299-A1 METHODS OF USING CYTOCHROME P450 REDUCTASE FOR THE ENHANCEMENT OF P450-BASED ANTI-CANCER GENE THERAPY TRUSTEES OF BOSTON UNIVERSITY (US) 1999-02-04 WO claimed
EP-1017835-B1 CYTOCHROME P450 REDUCTASE FOR THE ENHANCEMENT OF P450-BASED ANTI-CANCER GENE THERAPY UNIV BOSTON (US) 2011-10-05 EP disclosed
EP-1017835-A4 METHODS OF USING CYTOCHROME P450 REDUCTASE FOR THE ENHANCEMENT OF P450-BASED ANTI-CANCER GENE THERAPY UNIV BOSTON (US) 2005-01-26 EP disclosed
US-6207648-B1 USE OF NADPH-CYTOCHROME P450 REDUCTASE GENE TRANSFER IN COMBINATION WITH CYTOCHROME P450 GENE TRANSFER TO ENHANCE THE SENSITIVITY OF TUMOR CELLS TO ANTI-CANCER DRUGS THAT ARE ACTIVATED BY P450 ENZYMES TRUSTEES OF BOSTON UNIVERSITY 2001-03-27 US disclosed
EP-1017835-A1 METHODS OF USING CYTOCHROME P450 REDUCTASE FOR THE ENHANCEMENT OF P450-BASED ANTI-CANCER GENE THERAPY Trustees of Boston University (US) 2000-07-12 EP disclosed
WO-1999005299-A1 METHODS OF USING CYTOCHROME P450 REDUCTASE FOR THE ENHANCEMENT OF P450-BASED ANTI-CANCER GENE THERAPY TRUSTEES OF BOSTON UNIVERSITY (US) 1999-02-04 WO disclosed