SCHEMBL9726330

SCHEMBL9726330

CCOC(=O)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)OC)c1COC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.37
MAPT P10636 3/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 4/20 0.34
HPGD P15428 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
RORC P51449 1/20 0.33
IDO1 P14902 1/20 0.33
CYP3A4 P08684 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK10 P53779 1/20 0.32
JUN P05412 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
MAPK1 P28482 1/20 0.32
NR1H2 P55055 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
SCHEMBL9726357 0.88 KDM4E (0.37) KDM4EMAPTKMT2APOLBALDH1A1
SCHEMBL9726390 0.87 KDM4E (0.36) KDM4EMAPTKMT2APOLBALDH1A1
SCHEMBL9726294 0.87 KDM4E (0.36) KDM4EMAPTKMT2APOLBALDH1A1
SCHEMBL9726288 0.86 KDM4E (0.36) KDM4EMAPTKMT2APOLBALDH1A1
SCHEMBL9726339 0.85 KDM4E (0.40) KDM4EMAPTKMT2APOLBALDH1A1
SCHEMBL10563908 0.85 KDM4E (0.37) KDM4EMAPTKMT2APOLBALDH1A1
SCHEMBL9726388 0.85 KDM4E (0.41) KDM4EMAPTKMT2APOLBALDH1A1
SCHEMBL9726334 0.84 KDM4E (0.37) KDM4EMAPTKMT2APOLBALDH1A1
SCHEMBL9829874 0.84 KDM4E (0.36) KDM4EMAPTKMT2APOLBALDH1A1
SCHEMBL6727164 0.83 KDM4E (0.38) KDM4EMAPTKMT2APOLBALDH1A1

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