SCHEMBL7818647

SCHEMBL7818647

CC(Oc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-])C(=O)C(C#N)C(=O)N1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
TDP1 Q9NUW8 3/20 0.51
TTR P02766 1/20 0.51
PPOX P50336 1/20 0.51
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 2/20 0.42
ALDH1A1 P00352 5/20 0.42
MAPT P10636 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
GAA P10253 1/20 0.39
FFAR1 O14842 4/20 0.38
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX12 P18054 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL7819886 0.99 MEN1 (0.51) MEN1KMT2ATDP1TTRPPOX
SCHEMBL8749246 0.94 TDP1 (0.50) MEN1KMT2ATDP1TTRPPOX
SCHEMBL7820200 0.93 HPGD (0.52) MEN1KMT2ATDP1TTRPPOX
SCHEMBL7820064 0.93 MEN1 (0.49) MEN1KMT2ATDP1TTRPPOX
SCHEMBL7820318 0.90 TDP1 (0.50) MEN1KMT2ATDP1TTRPPOX
SCHEMBL7819875 0.90 FFAR1 (0.42) MEN1KMT2ATDP1TTRPPOX
SCHEMBL7820141 0.89 FFAR1 (0.41) MEN1KMT2ATDP1TTRPPOX
SCHEMBL7810429 0.89 TDP1 (0.56) MEN1KMT2ATDP1TTRPPOX
SCHEMBL7820843 0.87 TDP1 (0.54) MEN1KMT2ATDP1TTRPPOX
SCHEMBL8509042 0.86 FFAR1 (0.46) MEN1KMT2ATDP1TTRPPOX

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