SCHEMBL6001825

SCHEMBL6001825

Nc1c(O)ccc([N+](=O)[O-])c1[N+](=O)[O-].Nc1ccc(O)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.47
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALOX15 P16050 2/20 0.47
CYP3A4 P08684 2/20 0.47
POLB P06746 2/20 0.47
MAPT P10636 1/20 0.47
LMNA P02545 1/20 0.45
TSHR P16473 3/20 0.45
MAPK1 P28482 2/20 0.45
GAA P10253 1/20 0.45
THRB P10828 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GPR35 Q9HC97 4/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PSMD14 O00487 1/20 0.41

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
SCHEMBL10907363 0.86 GPR35 (0.55) TDP1ALDH1A1MEN1KMT2AALOX15
SCHEMBL24928 0.84 ALDH1A1 (0.64) TDP1ALDH1A1MEN1KMT2AALOX15
SCHEMBL29622134 0.84 ALDH1A1 (0.64) TDP1ALDH1A1MEN1KMT2AALOX15
2-Amino-4-Nitrophenol SCHEMBL6003570 0.79 GAA (0.75) TDP1ALDH1A1MEN1KMT2AALOX15
SCHEMBL597745 0.75 ALDH1A1 (0.50) TDP1ALDH1A1MEN1KMT2AALOX15
SCHEMBL3742310 0.73 TDP1 (0.64) TDP1ALDH1A1MEN1KMT2AALOX15
SCHEMBL27540387 0.73 ALDH1A1 (0.48) TDP1ALDH1A1MEN1KMT2AALOX15
SCHEMBL6031674 0.73 MAPK1 (0.67) ALDH1A1MEN1KMT2AALOX15CYP3A4
SCHEMBL29502912 0.73 MAPK1 (0.67) ALDH1A1MEN1KMT2AALOX15CYP3A4
SCHEMBL69947 0.73 MAPK1 (0.67) ALDH1A1MEN1KMT2AALOX15CYP3A4

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
WO-2006087194-A2 DYE COMPOSITION COMPRISING AN OXONOL TYPE METHINE DIRECT DYE, PROCESS FOR IMPLEMENTATION AND USES THEREOF L'OREAL (FR) 2006-08-24 WO disclosed