SCHEMBL180251

SCHEMBL180251

CC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 13/20 0.67
KMT2A Q03164 13/20 0.67
MAPT P10636 13/20 0.67
GAA P10253 5/20 0.67
ALDH1A1 P00352 4/20 0.67
HTT P42858 2/20 0.67
MAPK1 P28482 2/20 0.67
GFER P55789 2/20 0.67
SMN1; SMN2 Q16637 4/20 0.65
RAB9A P51151 5/20 0.57
NPC1 O15118 4/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
THRB P10828 2/20 0.55
KDM4E B2RXH2 2/20 0.55
ALOX12 P18054 1/20 0.55
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
ALPG P10696 1/20 0.54
CYP2C9 P11712 1/20 0.54

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
SCHEMBL180250 1.00 MEN1 (0.67) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL180363 0.83 KMT2A (0.58) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL180364 0.83 KMT2A (0.58) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL180204 0.79 MAPT (0.61) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL180203 0.79 MAPT (0.61) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL13576573 0.77 MAPT (0.88) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL180157 0.77 KMT2A (0.77) MEN1KMT2AMAPTGAAMAPK1
SCHEMBL180156 0.77 KMT2A (0.77) MEN1KMT2AMAPTGAAMAPK1
SCHEMBL12506275 0.76 MAPT (0.69) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL12506273 0.76 MAPT (0.69) MEN1KMT2AMAPTGAAALDH1A1

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-2402081-A1 AMMONIA DECOMPOSITION CATALYST Hitachi Zosen Corporation (JP) 2012-01-04 EP disclosed