SCHEMBL9798917

SCHEMBL9798917

O=[N+]([O-])c1ccc(-c2[c]cccc2)c([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
PTPRC P08575 3/20 0.45
S100A4 P26447 2/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
CES1 P23141 1/20 0.45
ALDH1A1 P00352 3/20 0.45
TSHR P16473 2/20 0.45
GPR35 Q9HC97 2/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HIF1A Q16665 1/20 0.45
TXNRD1 Q16881 1/20 0.44
TXNRD3 Q86VQ6 1/20 0.44
TXNRD2 Q9NNW7 1/20 0.44
GPR3 P46089 1/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL8371961 0.84 TDP1 (0.49) TDP1PTPRCS100A4BCHEACHE
SCHEMBL11841424 0.83 HSD17B10 (0.50) TDP1PTPRCS100A4BCHEACHE
SCHEMBL4375599 0.82 ALDH1A1 (0.53) TDP1PTPRCS100A4ALDH1A1GPR35
SCHEMBL7188925 0.79 MAPT (0.44) TDP1PTPRCS100A4ACHEALDH1A1
SCHEMBL5958796 0.77 TDP1 (0.65) TDP1PTPRCS100A4BCHEACHE
SCHEMBL10748570 0.76 PTPRC (0.58) TDP1PTPRCS100A4BCHEACHE
SCHEMBL8907017 0.76 ALDH1A1 (0.47) TDP1PTPRCS100A4BCHEACHE
SCHEMBL2935620 0.75 ALDH1A1 (0.48) TDP1ACHECES1ALDH1A1HPGD
SCHEMBL2137404 0.75 ALDH1A1 (0.63) TDP1PTPRCS100A4BCHEACHE
SCHEMBL4622823 0.74 TSHR (0.52) TDP1PTPRCACHECES1ALDH1A1

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-0163854-B1 PROCESS FOR THE ELIMINATION OF FLUORESCENCE AND CATIONIC OR AMPHOTERIC AROMATIC NITRO COMPOUNDS BAYER AG (DE) 1991-02-27 EP disclosed
US-4695405-A Process for quenching fluorescence, and new cationic or amphoteric aromatic nitro compounds BAYER AKTIENGESELLSCHAFT (DE) 1987-09-22 US disclosed
EP-0163854-A2 Process for the elimination of fluorescence and cationic or amphoteric aromatic nitro compounds BAYER AG (DE) 1985-12-11 EP disclosed