SCHEMBL4631056

SCHEMBL4631056

CNNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.54
MAPK1 P28482 6/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
TDP1 Q9NUW8 4/20 0.54
ALDH1A1 P00352 4/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
HTT P42858 2/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
GPR35 Q9HC97 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
HIF1A Q16665 1/20 0.50
TXNRD1 Q16881 1/20 0.49
TXNRD3 Q86VQ6 1/20 0.49

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
SCHEMBL365880 0.85 MAPT (0.60) MAPTMAPK1MEN1KMT2ATDP1
SCHEMBL10519866 0.82 MEN1 (0.54) MAPTMAPK1MEN1KMT2ATDP1
SCHEMBL9847318 0.82 ALDH1A1 (0.60) MAPTMAPK1MEN1KMT2ATDP1
SCHEMBL9639229 0.81 MAPT (0.57) MAPTMAPK1MEN1KMT2ATDP1
SCHEMBL31715811 0.81 MAPT (0.73) MAPTMAPK1MEN1KMT2ATDP1
SCHEMBL28251934 0.79 MEN1 (0.63) MAPTMAPK1MEN1KMT2ATDP1
SCHEMBL28247113 0.79 MAPT (0.51) MAPTMAPK1MEN1KMT2ATDP1
SCHEMBL28414751 0.79 LMNA (0.52) MAPTMAPK1MEN1KMT2ATDP1
SCHEMBL28325415 0.79 MAPT (0.53) MAPTMAPK1MEN1KMT2ATDP1
Alcohol SCHEMBL5697786 0.78 MAPT (0.56) MAPTMAPK1MEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924843-A2 NANOPOROUS DIRECT OPTICAL TRANSDUCING MATERIAL FOR DETECTING ALDEHYDES COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2008-05-28 EP claimed
WO-2007031657-A2 NANOPOROUS DIRECT OPTICAL TRANSDUCING MATERIAL FOR DETECTING ALDEHYDES COMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2007-03-22 WO claimed