SCHEMBL7820296

SCHEMBL7820296

COC(=O)N(C)C(=O)C(C#N)C(=O)C(C)Oc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
TTR P02766 1/20 0.50
PPOX P50336 1/20 0.50
LMNA P02545 5/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
FFAR1 O14842 5/20 0.37
POLB P06746 3/20 0.36
ALDH1A1 P00352 2/20 0.36
RAB9A P51151 1/20 0.36
HPGD P15428 2/20 0.35
MAPT P10636 4/20 0.34
NPSR1 Q6W5P4 2/20 0.34
CCR6 P51684 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34
KCNH2 Q12809 1/20 0.34
CTDSP1 Q9GZU7 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
SCHEMBL7820843 0.92 TDP1 (0.54) TDP1MEN1KMT2ATTRPPOX
SCHEMBL7822790 0.90 FFAR1 (0.41) TDP1MEN1KMT2ATTRPPOX
SCHEMBL7810429 0.88 TDP1 (0.56) TDP1MEN1KMT2ATTRPPOX
SCHEMBL7820883 0.87 MEN1 (0.51) TDP1MEN1KMT2ATTRPPOX
SCHEMBL7820286 0.86 MEN1 (0.48) TDP1MEN1KMT2ATTRPPOX
SCHEMBL8848941 0.85 MEN1 (0.49) TDP1MEN1KMT2ATTRPPOX
SCHEMBL7819076 0.85 MEN1 (0.51) TDP1MEN1KMT2ATTRPPOX
SCHEMBL7810817 0.84 MEN1 (0.49) TDP1MEN1KMT2ATTRPPOX
SCHEMBL7818647 0.83 MEN1 (0.51) TDP1MEN1KMT2ATTRPPOX
SCHEMBL7819886 0.83 MEN1 (0.51) TDP1MEN1KMT2ATTRPPOX

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
EP-0648746-B1 Cyanoketone derivative and herbicide containing it as an active component TOKUYAMA CORP (JP) 2001-07-18 EP disclosed
EP-0648746-A2 Cyanoketone derivative and herbicide containing it as an active component TOKUYAMA CORPORATION (JP) 1995-04-19 EP disclosed