SCHEMBL180229

SCHEMBL180229

CC(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1O

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.75
MEN1 O00255 6/20 0.75
TDP1 Q9NUW8 5/20 0.75
L3MBTL1 Q9Y468 3/20 0.75
MAPT P10636 12/20 0.73
MAPK1 P28482 6/20 0.67
GAA P10253 4/20 0.67
RAB9A P51151 2/20 0.67
HTT P42858 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
ALDH1A1 P00352 3/20 0.58
ALPI P09923 1/20 0.57
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
KCNMA1 Q12791 1/20 0.52
NPC1 O15118 2/20 0.52
NPSR1 Q6W5P4 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.49

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
SCHEMBL180228 1.00 KMT2A (0.75) KMT2AMEN1TDP1L3MBTL1MAPT
SCHEMBL8591919 0.88 MAPT (0.57) KMT2AMEN1TDP1L3MBTL1MAPT
SCHEMBL180045 0.87 KMT2A (0.58) KMT2AMEN1TDP1L3MBTL1MAPT
SCHEMBL180044 0.87 KMT2A (0.58) KMT2AMEN1TDP1L3MBTL1MAPT
SCHEMBL180364 0.87 KMT2A (0.58) KMT2AMEN1TDP1L3MBTL1MAPT
SCHEMBL180363 0.87 KMT2A (0.58) KMT2AMEN1TDP1L3MBTL1MAPT
SCHEMBL8264941 0.86 KMT2A (1.00) KMT2AMEN1TDP1L3MBTL1MAPT
SCHEMBL4988364 0.83 MAPT (0.53) KMT2AMEN1TDP1L3MBTL1MAPT
SCHEMBL8266230 0.83 MAPT (0.53) KMT2AMEN1TDP1L3MBTL1MAPT
SCHEMBL30423891 0.80 MAPT (0.71) KMT2AMEN1TDP1L3MBTL1MAPT

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