SCHEMBL9715199

SCHEMBL9715199

O=Nc1ccccc1N(CCO)CCO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PABPC1 P11940 1/20 0.47
MAPT P10636 3/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 2/20 0.34
NSD2 O96028 2/20 0.33
NPC1 O15118 1/20 0.33
MITF O75030 1/20 0.33
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33
GALK1 P51570 1/20 0.33
BLM P54132 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NCOA1 Q15788 1/20 0.30

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
SCHEMBL9015882 0.83 MEN1 (0.36) MEN1KMT2APABPC1MAPTGAA
SCHEMBL13740946 0.81 ALDH3A1 (0.37) ALDH1A1NPSR1L3MBTL1
SCHEMBL6021091 0.79 MEN1 (0.40) MEN1KMT2APABPC1MAPTGAA
SCHEMBL5705615 0.78 KMT2A (0.41) MEN1KMT2APABPC1MAPTGAA
SCHEMBL5468133 0.77 ALDH1A1 (0.41) MEN1KMT2APABPC1MAPTALDH1A1
SCHEMBL756089 0.76 MAPT (0.38) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL6567757 0.72 C5AR1 (0.37) MEN1KMT2AALDH1A1NPC1HTT
SCHEMBL11701103 0.71 MEN1 (0.49) MEN1KMT2APABPC1MAPTGAA
SCHEMBL4975914 0.69 KMT2A (0.47) MEN1KMT2APABPC1MAPTGAA
SCHEMBL94000 0.69 ALDH1A1 (0.47) MEN1KMT2APABPC1MAPTGAA

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
US-5122244-A Having a reducible nitroso or oxime compound to transfer electrons leading to a signal and form an aromatic amine oxidizable to a compound different from the original; low voltage BOEHRINGER MANNHEIM GMBH (DE) 1992-06-16 US claimed