SCHEMBL28845889

SCHEMBL28845889

FC(F)(F)c1ccc2cccnc2c1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 4/20 0.48
LMNA P02545 3/20 0.47
KDM4E B2RXH2 1/20 0.47
GMNN O75496 1/20 0.47
TP53 P04637 1/20 0.47
HSP90AA1 P07900 1/20 0.47
MMP2 P08253 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
MMP9 P14780 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
MMP8 P22894 1/20 0.47
CCR1 P32246 1/20 0.47
THPO P40225 1/20 0.47
MTOR P42345 1/20 0.47
HTT P42858 1/20 0.47
MMP13 P45452 1/20 0.47

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
SCHEMBL28846267 0.79 CYP11B2 (0.40) KDM4ETP53TDP1ESR1L3MBTL1
SCHEMBL29496277 0.75 LMNA (0.52) LMNAKDM4EGMNNTP53HSP90AA1
SCHEMBL22016210 0.75 CCR1 (0.52) TOP1LMNAKDM4EGMNNTP53
SCHEMBL28722018 0.75 LMNA (0.52) LMNAKDM4EGMNNTP53HSP90AA1
Phenanthroline SCHEMBL9275301 0.74 LMNA (0.76) TOP1LMNAKDM4EGMNNTP53
SCHEMBL28155587 0.74 ESR1 (0.39) LMNAKDM4ECYP2D6MAPTTSHR
SCHEMBL2569765 0.73 PSMD14 (0.55) LMNAKDM4EGMNNTP53HSP90AA1
SCHEMBL29935933 0.73 PSMD14 (0.55) LMNAKDM4EGMNNTP53HSP90AA1
SCHEMBL22969602 0.73 CCR1 (0.39) LMNAKDM4EGMNNTP53HSP90AA1
SCHEMBL2653070 0.73 CCR1 (0.39) TOP1LMNAKDM4EGMNNTP53

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106715425-A Herbicidal quinolines 先正达参股股份有限公司 2017-05-24 CN disclosed