SCHEMBL180364

SCHEMBL180364

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

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.58
MEN1 O00255 5/20 0.58
MAPT P10636 14/20 0.57
MAPK1 P28482 8/20 0.57
TDP1 Q9NUW8 7/20 0.57
L3MBTL1 Q9Y468 5/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
HTT P42858 3/20 0.57
ALDH1A1 P00352 3/20 0.57
GAA P10253 4/20 0.55
LMNA P02545 3/20 0.52
KDM4E B2RXH2 1/20 0.52
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
ALPI P09923 1/20 0.50

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
SCHEMBL180363 1.00 KMT2A (0.58) KMT2AMEN1MAPTMAPK1TDP1
SCHEMBL180044 0.91 KMT2A (0.58) KMT2AMEN1MAPTMAPK1TDP1
SCHEMBL180045 0.91 KMT2A (0.58) KMT2AMEN1MAPTMAPK1TDP1
SCHEMBL4132128 0.88 KMT2A (0.58) KMT2AMEN1MAPTMAPK1TDP1
SCHEMBL180228 0.87 KMT2A (0.75) KMT2AMEN1MAPTMAPK1TDP1
SCHEMBL180229 0.87 KMT2A (0.75) KMT2AMEN1MAPTMAPK1TDP1
SCHEMBL180156 0.85 KMT2A (0.77) KMT2AMEN1MAPTMAPK1TDP1
SCHEMBL180157 0.85 KMT2A (0.77) KMT2AMEN1MAPTMAPK1TDP1
SCHEMBL180084 0.84 KMT2A (0.72) KMT2AMEN1MAPTMAPK1TDP1
SCHEMBL180083 0.84 KMT2A (0.72) KMT2AMEN1MAPTMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006063992-A2 CATALYSTS BASED ON TRANSITION METALS, THEIR PREPARATION AND USE AND FUEL CELLS CONTAINING THEM ACTA S.P.A. (IT) 2006-06-22 WO claimed
CN-102333590-A Ammonia decomposition catalyst HITACHI SHIPBUILDING ENG CO 2012-01-25 CN disclosed
EP-2402081-A1 AMMONIA DECOMPOSITION CATALYST Hitachi Zosen Corporation (JP) 2012-01-04 EP disclosed
EP-1556916-B1 PLATINUM-FREE ELECTROCATALYST MATERIALS IDEA LAB S R L (IT) 2006-12-06 EP disclosed
WO-2006063992-A2 CATALYSTS BASED ON TRANSITION METALS, THEIR PREPARATION AND USE AND FUEL CELLS CONTAINING THEM ACTA S.P.A. (IT) 2006-06-22 WO disclosed
US-20060058500-A1 Platinum-free electrocatalyst materials IDEA LAB S.R.L. (IT) 2006-03-16 US disclosed
EP-1556916-A2 PLATINUM-FREE ELECTROCATALYST MATERIALS Idea Lab S.R.L. (IT) 2005-07-27 EP disclosed
WO-2004036674-A2 PLATINUM-FREE ELECTROCATALYST MATERIALS IDEA LAB S.R.L. (IT) 2004-04-29 WO disclosed