SCHEMBL28249113

SCHEMBL28249113

N#Cc1ccc(C=CC(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.47
KIF11 P52732 2/20 0.44
P4HB P07237 5/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
HDAC2 Q92769 2/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SNCA P37840 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.38
CYP2A6 P11509 1/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL28654002 0.84 FBP1 (0.44) FBP1KIF11P4HBALDH1A1LMNA
SCHEMBL1687911 0.79 FBP1 (0.59) FBP1P4HBALDH1A1LMNAHDAC2
SCHEMBL1687898 0.79 FBP1 (0.59) FBP1P4HBALDH1A1LMNAHDAC2
SCHEMBL21574805 0.79 FBP1 (0.59) FBP1P4HBALDH1A1LMNAHDAC2
SCHEMBL13799049 0.79 FBP1 (0.59) FBP1P4HBALDH1A1LMNAHDAC2
SCHEMBL1260529 0.79 FBP1 (0.59) FBP1P4HBALDH1A1LMNAHDAC2
SCHEMBL8699093 0.79 FBP1 (0.59) FBP1P4HBALDH1A1LMNAHDAC2
SCHEMBL2600067 0.79 FBP1 (0.47) FBP1KIF11P4HBALDH1A1LMNA
SCHEMBL28621230 0.78 NFE2L2 (0.54) FBP1P4HBHDAC2KDM4E
SCHEMBL14758485 0.78 NFE2L2 (0.54) FBP1P4HBHDAC2KDM4E

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
CN-108658716-B Method for synthesizing olefin compound by photoinduction one-pot method 清华大学 2020-06-19 CN disclosed
CN-108658716-A A kind of method of photoinduction one pot process alkenes compounds 清华大学 2018-10-16 CN disclosed