SCHEMBL8893032

SCHEMBL8893032

C=C(C)CNNc1ccccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.51
MEN1 O00255 5/20 0.51
ALDH1A1 P00352 5/20 0.51
GAA P10253 5/20 0.51
MAPT P10636 4/20 0.51
POLB P06746 2/20 0.47
TDP1 Q9NUW8 3/20 0.45
MAPK1 P28482 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
CASP7 P55210 1/20 0.45
CRHR1 P34998 1/20 0.44
PKM P14618 1/20 0.44
ALPI P09923 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KAT2B Q92831 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL198386 0.76 KMT2A (0.54) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL8893645 0.75 MAPT (0.49) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL10433483 0.73 ALDH1A1 (0.63) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL516294 0.72 KMT2A (0.61) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL733777 0.70 KMT2A (0.69) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL13689727 0.70 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1POLBL3MBTL1
SCHEMBL20984065 0.70 GAA (0.67) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL29740651 0.70 KMT2A (0.69) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL9400705 0.70 MAPT (0.50) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL12655445 0.70 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1GAAMAPT

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 2 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 disclosed
EP-0671900-B1 ALLYLAMINO-NITROAROMATES HENKEL KGAA (DE) 1996-08-14 EP disclosed