SCHEMBL8893719

SCHEMBL8893719

C=CCN(CC=C)N(CCO)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 8/20 0.41
KMT2A Q03164 1/20 0.37
TSHR P16473 2/20 0.36
HSD17B10 Q99714 1/20 0.36
NSD2 O96028 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
MAPT P10636 1/20 0.35
C5AR1 P21730 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
HCAR3 P49019 1/20 0.35
SNCA P37840 1/20 0.35
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL4790892 0.77 KDM4E (0.50) KDM4EALDH1A1KMT2ATSHRHSD17B10
SCHEMBL3862962 0.75 NSD2 (0.49) KDM4EALDH1A1KMT2ATSHRHSD17B10
SCHEMBL8812752 0.74 KDM4E (0.44) KDM4EALDH1A1KMT2ATSHRHSD17B10
SCHEMBL9543595 0.73 KDM4E (0.50) KDM4EALDH1A1KMT2ATSHRMAPT
SCHEMBL27727791 0.73 HCAR3 (0.48) KDM4EALDH1A1KMT2ATSHRHSD17B10
SCHEMBL9592847 0.69 KDM4E (0.41) KDM4EALDH1A1HSD17B10MAPTC5AR1
SCHEMBL4890210 0.69 ALDH1A1 (0.42) KDM4EALDH1A1KMT2ATSHRHSD17B10
SCHEMBL11076565 0.69 KDM4E (0.45) KDM4EALDH1A1KMT2ATSHRHSD17B10
SCHEMBL29320854 0.68 HSD17B10 (0.44) ALDH1A1KMT2ATSHRHSD17B10MAPT
SCHEMBL10618157 0.68 ALDH1A1 (0.43) KDM4EALDH1A1KMT2ATSHRMAPT

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