SCHEMBL28813844

SCHEMBL28813844

O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC1

nearest known ligand 0.85

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.85
MEN1 O00255 5/20 0.66
KMT2A Q03164 5/20 0.66
RAB9A P51151 1/20 0.66
ALDH1A1 P00352 3/20 0.60
MAPT P10636 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
TRPV1 Q8NER1 1/20 0.59
HTT P42858 1/20 0.58
FAAH O00519 1/20 0.58
LMNA P02545 2/20 0.57
KDM4E B2RXH2 1/20 0.57
MAPK1 P28482 1/20 0.57
PANK3 Q9H999 1/20 0.57
NAMPT P43490 1/20 0.57

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
SCHEMBL14574134 0.93 GAA (0.97) GAAMEN1KMT2ARAB9AALDH1A1
SCHEMBL14574146 0.92 GAA (0.74) GAAMEN1KMT2ARAB9AALDH1A1
SCHEMBL9435700 0.92 GAA (1.00) GAAMEN1KMT2ARAB9AALDH1A1
SCHEMBL7258861 0.89 GAA (0.74) GAAMEN1KMT2ARAB9AALDH1A1
SCHEMBL2386321 0.89 GAA (0.74) GAAMEN1KMT2ARAB9AALDH1A1
SCHEMBL14574149 0.87 GAA (0.67) GAAMEN1KMT2ARAB9AALDH1A1
SCHEMBL32660771 0.85 MAPT (0.67) GAAMEN1KMT2ARAB9AALDH1A1
SCHEMBL29178271 0.85 MAPT (0.69) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL4315881 0.84 LMNA (0.66) GAAMEN1KMT2ARAB9AALDH1A1
SCHEMBL223421 0.83 MAPT (0.71) GAAMEN1KMT2ARAB9AALDH1A1

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-104428331-A Active energy ray-polymerizable resin composition and laminate obtained using resin composition TOYO INK SC HOLDINGS CO LTD 2015-03-18 CN disclosed