SCHEMBL7818062

SCHEMBL7818062

CC(Oc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-])C(=O)C(C#N)C(=O)NC1CCCCCC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
TDP1 Q9NUW8 2/20 0.48
MEN1 O00255 2/20 0.48
TTR P02766 1/20 0.48
PPOX P50336 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.39
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MRGPRX4 Q96LA9 2/20 0.38
FFAR1 O14842 5/20 0.36
GAA P10253 1/20 0.35
LMNA P02545 4/20 0.35
HPGD P15428 1/20 0.35
TBXA2R P21731 1/20 0.35
POLB P06746 1/20 0.35
THRB P10828 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
SCHEMBL7824175 0.90 MRGPRX4 (0.41) KMT2ATDP1MEN1TTRPPOX
SCHEMBL7810429 0.86 TDP1 (0.56) KMT2ATDP1MEN1TTRPPOX
SCHEMBL7819886 0.85 MEN1 (0.51) KMT2ATDP1MEN1TTRPPOX
SCHEMBL7818647 0.84 MEN1 (0.51) KMT2ATDP1MEN1TTRPPOX
SCHEMBL7820843 0.83 TDP1 (0.54) KMT2ATDP1MEN1TTRPPOX
SCHEMBL7820064 0.83 MEN1 (0.49) KMT2ATDP1MEN1TTRPPOX
SCHEMBL8749246 0.82 TDP1 (0.50) KMT2ATDP1MEN1TTRPPOX
SCHEMBL7820296 0.82 TDP1 (0.50) KMT2ATDP1MEN1TTRPPOX
SCHEMBL7820318 0.81 TDP1 (0.50) KMT2ATDP1MEN1TTRPPOX
SCHEMBL7820200 0.81 HPGD (0.52) KMT2ATDP1MEN1TTRPPOX

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