SCHEMBL11113989

SCHEMBL11113989

COCCCNC(=O)Oc1cc([N+](=O)[O-])c2c(c1N)C(=O)c1ccccc1C2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.44
HTT P42858 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 3/20 0.39
MAPT P10636 5/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
APAF1 O14727 1/20 0.38
NPC1 O15118 1/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
APEX1 P27695 1/20 0.37

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
SCHEMBL10607346 0.94 ALDH1A1 (0.41) ALDH1A1HTTL3MBTL1POLBMAPT
SCHEMBL10606221 0.89 MGLL (0.48) KMT2APTGS2
SCHEMBL10391050 0.85 ALDH1A1 (0.48) ALDH1A1HTTL3MBTL1POLBLMNA
SCHEMBL9816486 0.83 POLB (0.38) ALDH1A1HTTPOLBLMNAMAPT
SCHEMBL10891258 0.79 MEN1 (0.49) ALDH1A1HTTL3MBTL1POLBLMNA
SCHEMBL3375833 0.78 MAPT (0.48) ALDH1A1POLBLMNAKDM4EMAPT
SCHEMBL10696752 0.78 MAPT (0.48) ALDH1A1POLBKDM4EMAPTMEN1
SCHEMBL10607101 0.77 MAPT (0.47) ALDH1A1POLBLMNAKDM4EMAPT
SCHEMBL11110059 0.77 ELANE (0.48) ALDH1A1L3MBTL1POLBLMNAKDM4E
SCHEMBL11115398 0.74 MAPT (0.44) ALDH1A1POLBLMNAKDM4EMAPT

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-0111197-A2 Anthraquinone dyes, their preparation and use, as well as dichroic material containing anthraquinone dyes BAYER AG (DE) 1984-06-20 EP disclosed