SCHEMBL13767769

SCHEMBL13767769

O=[N+]([O-])c1ccc(/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
TDP1 Q9NUW8 3/20 0.60
MAPK1 P28482 2/20 0.60
MAPT P10636 1/20 0.60
HTT P42858 1/20 0.60
KMT2A Q03164 1/20 0.60
TSHR P16473 3/20 0.57
GPR35 Q9HC97 2/20 0.57
TP53 P04637 1/20 0.57
HPGD P15428 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HIF1A Q16665 1/20 0.57
TXNRD1 Q16881 2/20 0.55
TXNRD3 Q86VQ6 2/20 0.55
TXNRD2 Q9NNW7 2/20 0.55
CYP1A2 P05177 1/20 0.47
ERN1 O75460 1/20 0.47
LMNA P02545 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL19623140 0.89 ALDH1A1 (0.58) ALDH1A1TDP1MAPK1MAPTHTT
SCHEMBL3247258 0.88 NFE2L2 (0.63) ALDH1A1TDP1MAPK1MAPTHTT
SCHEMBL3247265 0.88 NFE2L2 (0.63) ALDH1A1TDP1MAPK1MAPTHTT
SCHEMBL11158154 0.88 ALDH1A1 (0.60) ALDH1A1TDP1MAPK1MAPTHTT
SCHEMBL11776992 0.87 CYP19A1 (0.69) ALDH1A1TDP1MAPK1MAPTHTT
SCHEMBL11776986 0.87 CYP19A1 (0.69) ALDH1A1TDP1MAPK1MAPTHTT
SCHEMBL203753 0.86 ERN1 (0.59) ALDH1A1TDP1MAPK1MAPTHTT
SCHEMBL3248727 0.85 NFE2L2 (0.61) ALDH1A1TDP1MAPK1MAPTHTT
SCHEMBL3263470 0.85 MAPT (0.66) ALDH1A1TDP1MAPK1MAPTHTT
SCHEMBL3248725 0.85 NFE2L2 (0.61) ALDH1A1TDP1MAPK1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0897130-B1 Thermographic recording element FUJIFILM CORP (JP) 2009-07-15 EP disclosed