SCHEMBL9653178

SCHEMBL9653178

CN(C)C(=O)/C(C#N)=C(\O)c1ccc(F)cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
COMT P21964 4/20 0.42
FTO Q9C0B1 4/20 0.42
TDP1 Q9NUW8 2/20 0.37
ATM Q13315 1/20 0.37
KCNMA1 Q12791 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 3/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
SNCA P37840 1/20 0.34
HCAR3 P49019 1/20 0.34
HTT P42858 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL9653184 1.00 COMT (0.42) COMTFTOTDP1ATMKCNMA1
SCHEMBL9650649 0.86 COMT (0.43) COMTFTOKCNMA1MAPTKMT2A
SCHEMBL9653250 0.86 CES2 (0.47) COMTFTOTDP1L3MBTL1MAPT
SCHEMBL9650642 0.86 COMT (0.43) COMTFTOKCNMA1MAPTKMT2A
SCHEMBL9653248 0.86 CES2 (0.47) COMTFTOTDP1L3MBTL1MAPT
SCHEMBL9650742 0.85 VCAM1 (0.45) COMTFTOL3MBTL1HPGD
SCHEMBL9652769 0.85 COMT (0.42) COMTFTOMAPTKMT2AMEN1
SCHEMBL9650751 0.85 VCAM1 (0.45) COMTFTOL3MBTL1HPGD
SCHEMBL9652763 0.85 COMT (0.42) COMTFTOMAPTKMT2AMEN1
SCHEMBL9651847 0.85 HPD (0.46) COMTFTOTDP1KCNMA1MAPT

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-0213892-B1 HERBICIDALLY ACTIVE ENOLS ROHM AND HAAS COMPANY (US) 1992-03-25 EP disclosed
US-4781750-A Herbicidally active enols ROHM AND HAAS COMPANY (US) 1988-11-01 US disclosed
EP-0213892-A2 Herbicidally active enols ROHM AND HAAS COMPANY (US) 1987-03-11 EP disclosed