SCHEMBL5696392

SCHEMBL5696392

FC(F)(F)c1ccc2c(c1)CC=[C]N2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 4/20 0.41
TDP2 O95551 1/20 0.37
KIF11 P52732 5/20 0.36
METAP2 P50579 1/20 0.34
PARP1 P09874 1/20 0.34
PARP10 Q53GL7 1/20 0.34
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRM1 P11229 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33

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
SCHEMBL14332331 0.73 AHR (0.42) PNMTHTR2AHTR2CHTR2B
SCHEMBL23037010 0.66 KIF11 (0.46) TDP2KIF11PARP1PARP10KMT2A
SCHEMBL4991137 0.66 PARP10 (0.56) KIF11PARP1PARP10GAAHTR2A
SCHEMBL4531599 0.63 PNMT (0.44) PNMTTDP2KIF11PARP1PARP10
SCHEMBL578303 0.63 TDP2 (0.66) TDP2KIF11GAA
SCHEMBL31492431 0.63 TDP2 (0.66) TDP2KIF11GAA
SCHEMBL2238253 0.63 KIF11 (0.77) TDP2KIF11
SCHEMBL3717613 0.63 GAA (0.57) KIF11PARP1PARP10ALDH1A1GAA
SCHEMBL7385186 0.62 GAA (0.52) KIF11PARP1PARP10ALDH1A1GAA
SCHEMBL22326600 0.62 TDP2 (0.41) PNMTTDP2KIF11PARP1PARP10

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-1670765-A2 CETP INHIBITORS AND METABOLITES THEREOF Pfizer Products Inc. (US) 2006-06-21 EP disclosed
WO-2005033082-A2 CETP INHIBITORS AND METABOLITES THEREOF PFIZER PRODUCTS INC. (US) 2005-04-14 WO disclosed