SCHEMBL7810429

SCHEMBL7810429

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
TTR P02766 1/20 0.56
PPOX P50336 1/20 0.56
FFAR1 O14842 5/20 0.41
LMNA P02545 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 3/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 3/20 0.36
CCR6 P51684 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36
KCNH2 Q12809 1/20 0.36

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 0.91 TDP1 (0.54) TDP1MEN1KMT2ATTRPPOX
SCHEMBL7818647 0.89 MEN1 (0.51) TDP1MEN1KMT2ATTRPPOX
SCHEMBL7818103 0.88 MEN1 (0.65) TDP1MEN1KMT2ATTRPPOX
SCHEMBL7819886 0.88 MEN1 (0.51) TDP1MEN1KMT2ATTRPPOX
SCHEMBL8749246 0.88 TDP1 (0.50) TDP1MEN1KMT2ATTRPPOX
SCHEMBL7820296 0.88 TDP1 (0.50) TDP1MEN1KMT2ATTRPPOX
SCHEMBL7820318 0.87 TDP1 (0.50) TDP1MEN1KMT2ATTRPPOX
SCHEMBL7820883 0.87 MEN1 (0.51) TDP1MEN1KMT2ATTRPPOX
SCHEMBL7820200 0.87 HPGD (0.52) TDP1MEN1KMT2ATTRPPOX
SCHEMBL7810108 0.86 MEN1 (0.52) 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 4 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-0768085-A1 ANTIBACTERIAL AGENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-04-16 EP disclosed
EP-0761215-A1 ANTIBACTERIAL AGENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-03-12 EP disclosed
EP-0648746-A2 Cyanoketone derivative and herbicide containing it as an active component TOKUYAMA CORPORATION (JP) 1995-04-19 EP disclosed