SCHEMBL8893645

SCHEMBL8893645

C=CCNNc1ccccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
ALDH1A1 P00352 6/20 0.49
GAA P10253 5/20 0.49
POLB P06746 2/20 0.49
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
L3MBTL1 Q9Y468 4/20 0.47
MAPK1 P28482 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
CASP7 P55210 1/20 0.47
KAT2B Q92831 2/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
PKM P14618 1/20 0.43
HCAR3 P49019 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL1344661 0.83 HCAR3 (0.58) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL2661518 0.76 KAT2B (0.51) MAPTALDH1A1GAAPOLBMEN1
SCHEMBL198386 0.75 KMT2A (0.54) MAPTALDH1A1GAAPOLBMEN1
SCHEMBL8893032 0.75 KMT2A (0.51) MAPTALDH1A1GAAPOLBMEN1
SCHEMBL397773 0.74 MAPK1 (0.77) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL27757554 0.74 MAPK1 (0.55) MAPTALDH1A1GAAPOLBMEN1
Diethanolamine SCHEMBL9019274 0.74 HCAR3 (0.52) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL10613156 0.73 MEN1 (0.47) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL11576114 0.73 MEN1 (0.47) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL8812743 0.73 HCAR3 (0.51) MAPTALDH1A1MEN1KMT2AL3MBTL1

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
US-5685881-A Aromatic allylaminonitro compounds, hair dye compositions containing aromatic allylaminonitio compounds, and synthetic and natural fiber dyeing process HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1997-11-11 US claimed
EP-0671900-B1 ALLYLAMINO-NITROAROMATES HENKEL KGAA (DE) 1996-08-14 EP claimed
EP-0671900-A1 ALLYLAMINO-NITROAROMATES. HENKEL KGAA (DE) 1995-09-20 EP claimed
WO-1994012149-A1 ALLYLAMINO-NITROAROMATES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1994-06-09 WO claimed
US-5685881-A Aromatic allylaminonitro compounds, hair dye compositions containing aromatic allylaminonitio compounds, and synthetic and natural fiber dyeing process HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1997-11-11 US disclosed
EP-0671900-B1 ALLYLAMINO-NITROAROMATES HENKEL KGAA (DE) 1996-08-14 EP disclosed
EP-0671900-A1 ALLYLAMINO-NITROAROMATES. HENKEL KGAA (DE) 1995-09-20 EP disclosed
WO-1994012149-A1 ALLYLAMINO-NITROAROMATES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1994-06-09 WO disclosed