SCHEMBL27972765

SCHEMBL27972765

O=[N+]([O-])c1cn(CCO)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
TAAR1 Q96RJ0 1/20 0.46
ALDH1A1 P00352 4/20 0.44
PKM P14618 1/20 0.44
ATM Q13315 1/20 0.42
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.40
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL14696607 0.89 L3MBTL1 (0.53) L3MBTL1TAAR1ALDH1A1PKMLMNA
SCHEMBL9810683 0.85 L3MBTL1 (0.54) L3MBTL1TAAR1ALDH1A1PKMHIF1A
SCHEMBL11867511 0.83 L3MBTL1 (0.42) L3MBTL1TAAR1ALDH1A1PKMLMNA
SCHEMBL20487676 0.82 L3MBTL1 (0.48) L3MBTL1TAAR1ALDH1A1PKMLMNA
SCHEMBL31303986 0.82 L3MBTL1 (0.48) L3MBTL1TAAR1ALDH1A1PKMLMNA
SCHEMBL2976254 0.80 L3MBTL1 (0.50) L3MBTL1TAAR1ALDH1A1PKMHIF1A
SCHEMBL4412169 0.80 L3MBTL1 (0.50) L3MBTL1TAAR1ALDH1A1PKMLMNA
SCHEMBL19406117 0.79 L3MBTL1 (0.46) L3MBTL1TAAR1ALDH1A1PKMLMNA
SCHEMBL28813221 0.79 L3MBTL1 (0.46) L3MBTL1TAAR1ALDH1A1PKMLMNA
SCHEMBL4412173 0.79 L3MBTL1 (0.46) L3MBTL1TAAR1ALDH1A1PKMLMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110559452-B Folic acid-nitroimidazole modified amphiphilic polymer quantum dot and preparation method and application thereof 江苏大学 2022-03-22 CN disclosed
CN-110559452-A folic acid-nitroimidazole modified amphiphilic polymer quantum dot and preparation method and application thereof 江苏大学 2019-12-13 CN disclosed
CN-103897011-A CDDO imidazole derivatives as well as preparation method and application thereof UNIV CHINA PHARMA 2014-07-02 CN disclosed