SCHEMBL9726288

SCHEMBL9726288

CCOC(=O)c1c(C(F)(F)F)nc(C(F)F)c(C(=O)OC)c1CN(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 4/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
JUN P05412 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
PDE4D Q08499 1/20 0.32
RORC P51449 1/20 0.32
IDO1 P14902 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL9726330 0.86 KDM4E (0.37) KDM4EKMT2AMAPTPOLBL3MBTL1
SCHEMBL9726357 0.86 KDM4E (0.37) KDM4EKMT2AMAPTPOLBL3MBTL1
SCHEMBL10563908 0.86 KDM4E (0.37) KDM4EKMT2AMAPTPOLBL3MBTL1
SCHEMBL9726390 0.85 KDM4E (0.36) KDM4EKMT2AMAPTPOLBL3MBTL1
SCHEMBL9726294 0.85 KDM4E (0.36) KDM4EKMT2AMAPTPOLBTSHR
SCHEMBL9726339 0.83 KDM4E (0.40) KDM4EKMT2AMAPTPOLBL3MBTL1
SCHEMBL9726388 0.83 KDM4E (0.41) KDM4EKMT2AMAPTPOLBL3MBTL1
SCHEMBL9829874 0.82 KDM4E (0.36) KDM4EKMT2AMAPTPOLBL3MBTL1
SCHEMBL6727164 0.81 KDM4E (0.38) KDM4EKMT2AMAPTPOLBL3MBTL1
SCHEMBL9726286 0.81 KDM4E (0.40) KDM4EKMT2AMAPTPOLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5142055-A Dehydrofluorinating reduced fluoroalkyl pyridine compound MONSANTO COMPANY (US) 1992-08-25 US disclosed
EP-0133612-B1 SUBSTITUTED 2,6-SUBSTITUTED PYRIDINE COMPOUNDS MONSANTO COMPANY (US) 1991-02-27 EP disclosed
US-4978384-A HERBICIDES MONSANTO COMPANY (US) 1990-12-18 US disclosed
US-4826530-A PREEEMERGENCE AND SELECTIVE POSTEMEREGENCE HERBICIDES MONSANTO COMPANY (US) 1989-05-02 US disclosed
US-4692184-A HERBICIDES MONSANTO COMPANY (US) 1987-09-08 US disclosed
EP-0133612-A2 Substituted 2,6-substituted pyridine compounds MONSANTO COMPANY (US) 1985-02-27 EP disclosed