SCHEMBL16433969

SCHEMBL16433969

N#C/N=C1/c2cc(C(F)(F)F)ccc2-c2cc3c(cc21)Cc1cc(C(F)(F)F)ccc1-3

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 2/20 0.42
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
PARP1 P09874 1/20 0.33
PARP10 Q53GL7 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
PNMT P11086 3/20 0.31
KIF11 P52732 1/20 0.30

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
SCHEMBL16433706 0.84 TDP2 (0.41) TDP2PARP10ESR1ESR2KIF11
SCHEMBL13190325 0.81 KIF11 (0.36) TDP2PARP1PARP10PNMTKIF11
SCHEMBL21371016 0.78 PARP10 (0.38) TDP2PARP10KIF11
SCHEMBL16433972 0.77 KIF11 (0.43) TDP2KIF11
SCHEMBL10050369 0.76 KIF11 (0.47) TDP2KIF11
SCHEMBL33527314 0.74 TDP2 (0.59) TDP2SLC1A3SLC1A2SLC1A1PARP1
SCHEMBL14142868 0.73 TDP2 (0.31) TDP2KIF11
SCHEMBL10195828 0.73 KIF11 (0.40) TDP2KIF11
SCHEMBL12198266 0.73 TDP2 (0.39) TDP2KIF11
SCHEMBL10050371 0.71 EDNRB (0.42) KIF11

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
EP-2833700-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Sony Corporation (JP) 2015-02-04 EP disclosed