SCHEMBL9323936

SCHEMBL9323936

O=[N+]([O-])CCCCCCCCCCCCC[N+](=O)[O-]

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.72
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
BLM P54132 1/20 0.43
HBB P68871 1/20 0.43
HIF1A Q16665 1/20 0.43
TSHR P16473 1/20 0.41
CA5A P35218 1/20 0.31
CA5B Q9Y2D0 1/20 0.31

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
SCHEMBL719520 1.00 ALDH1A1 (0.72) ALDH1A1TDP1MEN1KMT2ALMNA
SCHEMBL715302 1.00 ALDH1A1 (0.72) ALDH1A1TDP1MEN1KMT2ALMNA
SCHEMBL16341718 1.00 ALDH1A1 (0.72) ALDH1A1TDP1MEN1KMT2ALMNA
SCHEMBL16341166 1.00 ALDH1A1 (0.72) ALDH1A1TDP1MEN1KMT2ALMNA
SCHEMBL1311257 1.00 ALDH1A1 (0.72) ALDH1A1TDP1MEN1KMT2ALMNA
SCHEMBL719096 0.96 ALDH1A1 (0.67) ALDH1A1TDP1MEN1KMT2ALMNA
SCHEMBL1011508 0.88
SCHEMBL27630239 0.87 ALDH1A1 (0.59) ALDH1A1TDP1MEN1KMT2ALMNA
SCHEMBL6426269 0.87
SCHEMBL25275677 0.85 ALDH1A1 (0.56) ALDH1A1TDP1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0359519-B1 A process for producing carbamic acid esters BABCOCK HITACHI KK (JP) 1994-02-02 EP disclosed
US-5101062-A Reacting an amine, oxygen, a nitro compound, carbon monoxide, and alcohol in the presence of a transition metal catalyst, non-metal halide and water BABCOCK-HITACHI KABUSHIKI KAISHA (JP) 1992-03-31 US disclosed
EP-0359519-A1 A process for producing carbamic acid esters BABCOCK-HITACHI KABUSHIKI KAISHA (JP) 1990-03-21 EP disclosed