SCHEMBL27786244

SCHEMBL27786244

C=CC(O)c1ccc(OC)c([N+](=O)[O-])c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.46
KDM4E B2RXH2 3/20 0.46
POLB P06746 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 2/20 0.38
GSK3A P49840 2/20 0.35
GSK3B P49841 2/20 0.35
MAPT P10636 4/20 0.35
MAPK1 P28482 1/20 0.35
GRIN2D O15399 2/20 0.34
GRIN3B O60391 2/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2A Q12879 2/20 0.34
GRIN2B Q13224 2/20 0.34
GRIN2C Q14957 2/20 0.34
GRIN3A Q8TCU5 2/20 0.34
ALDH1A1 P00352 5/20 0.34

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
SCHEMBL10415980 0.70 GRM8 (0.48) TDP1KDM4EPOLBMEN1KMT2A
SCHEMBL6912560 0.69 ALDH1A1 (0.43) TDP1KDM4EPOLBL3MBTL1MEN1
SCHEMBL25280185 0.69 TDP1 (0.51) TDP1KDM4EPOLBCTDSP1L3MBTL1
SCHEMBL2848439 0.69 TDP1 (0.51) TDP1KDM4EPOLBCTDSP1L3MBTL1
SCHEMBL29396391 0.69 TDP1 (0.62) TDP1KDM4EPOLBCTDSP1L3MBTL1
SCHEMBL1179747 0.69 TDP1 (0.62) TDP1KDM4EPOLBCTDSP1L3MBTL1
SCHEMBL1553415 0.68 KDM4E (0.54) TDP1KDM4EPOLBCTDSP1L3MBTL1
SCHEMBL16955288 0.68 TDP1 (0.45) TDP1KDM4EPOLBCTDSP1L3MBTL1
SCHEMBL20921416 0.68 AKR1C3 (0.44) KDM4EHTTMAPTMAPK1ALDH1A1
SCHEMBL13276270 0.67 LMNA (0.36) TDP1KDM4EPOLBCTDSP1L3MBTL1

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
CN-101589019-A Process for preparing 4-hydroxyalkylamino-2-nitrobenzyl ethers PROCTER & GAMBLE (US) 2009-11-25 CN disclosed