SCHEMBL11201112

SCHEMBL11201112

O=C(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1.O=C(O)c1ccc2c(c1)C(=O)c1ccccc1-2.O=C(O)c1cccc2c1-c1ccccc1C2=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERO1A Q96HE7 1/20 0.54
TTR P02766 4/20 0.52
PTPRC P08575 4/20 0.51
CES1 P23141 3/20 0.49
CES2 O00748 2/20 0.49
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
S100A4 P26447 1/20 0.47
HSP90AA1 P07900 1/20 0.46
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
LPAR1 Q92633 1/20 0.44
LPAR5 Q9H1C0 1/20 0.44
LPAR3 Q9UBY5 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL503711 0.84 HSP90AA1 (0.55) ERO1APTPRCCES1ALDH1A1L3MBTL1
SCHEMBL10526597 0.82 TTR (0.67) TTRPTPRCALDH1A1L3MBTL1BCHE
SCHEMBL599326 0.79 TTR (0.67) TTRPTPRCALDH1A1L3MBTL1BCHE
SCHEMBL70489 0.78 TTR (0.73) TTRPTPRCALDH1A1L3MBTL1BCHE
SCHEMBL69877 0.78 TTR (0.73) TTRPTPRCALDH1A1L3MBTL1BCHE
SCHEMBL7823754 0.77 PTPRC (0.66) ERO1ATTRPTPRCCES1BCHE
SCHEMBL4586774 0.76 POLB (0.62) ERO1APTPRCCES1ALDH1A1L3MBTL1
SCHEMBL7821273 0.75 TTR (0.64) TTRPTPRCALDH1A1S100A4LMNA
SCHEMBL10492712 0.74 POLB (0.70) TTRPTPRCALDH1A1L3MBTL1LMNA
SCHEMBL292802 0.74 TTR (0.96) TTRPTPRCALDH1A1L3MBTL1S100A4

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-0090493-A2 Photopolymerisable compositions IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-10-05 EP disclosed