SCHEMBL9455472

SCHEMBL9455472

FC(F)(F)C1(C(F)(F)F)c2ccccc2Oc2cc3c(cc21)C(C(F)(F)F)(C(F)(F)F)c1ccccc1O3

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 15/20 0.34
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
ALOX5 P09917 1/20 0.33
AHR P35869 1/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
HTT P42858 1/20 0.30
RECQL P46063 1/20 0.30
BLM P54132 1/20 0.30
SMAD3 P84022 1/20 0.30
KMT2A Q03164 1/20 0.30
PRMT1 Q99873 1/20 0.30
ACE2 Q9BYF1 1/20 0.30
FTO Q9C0B1 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL9732686 0.90 PDK2 (0.40) PDK2MAOAMAOBALOX5AHR
SCHEMBL29617163 0.90 PDK2 (0.40) PDK2MAOAMAOBALOX5AHR
SCHEMBL9455519 0.76 PDK2 (0.31) PDK2
SCHEMBL9455536 0.76
SCHEMBL21104345 0.75 TDP2 (0.32) TDP1
SCHEMBL9616256 0.72 PDK2 (0.50) PDK2
SCHEMBL3473632 0.72 PDK2 (0.42) PDK2MEN1MAPTHPGDKMT2A
SCHEMBL30884612 0.72 PDK2 (0.41) PDK2MEN1MAPTHPGDKMT2A
SCHEMBL30397838 0.72 PDK2 (0.42) PDK2MEN1MAPTHPGDKMT2A
SCHEMBL8644400 0.72 FTO (0.44) PDK2MEN1MAPTHPGDCYP2C19

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
US-5189138-A COMPOUNDS, MONOMERS, AND POLYMERS BASED ON PERFLUOROALKYL AND PERFLUOROALKYL-ARYL DIOXAPENTACENE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-02-23 US disclosed
EP-0500026-A1 Compounds, monomers, and polymers based on perfluoroalkyl and perfluoroalkyl-aryl dioxapentacene E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-08-26 EP disclosed