SCHEMBL9726366

SCHEMBL9726366

CCOC(=O)c1c(C(F)(F)F)nc(C(F)(F)F)c(C(=O)OCC)c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
MAPT P10636 4/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 5/20 0.45
HPGD P15428 4/20 0.45
ADORA3 P0DMS8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PDE4D Q08499 1/20 0.43
IDO1 P14902 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
LMNA P02545 2/20 0.42
PKM P14618 1/20 0.42
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL10370033 0.88 KDM4E (0.49) KDM4EMAPTKMT2APOLBALDH1A1
SCHEMBL10364664 0.87 KDM4E (0.46) KDM4EMAPTKMT2APOLBALDH1A1
SCHEMBL10370416 0.86 KDM4E (0.48) KDM4EMAPTKMT2APOLBALDH1A1
SCHEMBL10373408 0.86 KDM4E (0.48) KDM4EMAPTKMT2APOLBALDH1A1
Ammonia Solution, Strong SCHEMBL10370588 0.86 KDM4E (0.48) KDM4EMAPTKMT2APOLBALDH1A1
SCHEMBL9726378 0.86 KDM4E (0.48) KDM4EMAPTKMT2APOLBALDH1A1
SCHEMBL10370830 0.86 KDM4E (0.55) KDM4EMAPTKMT2APOLBALDH1A1
SCHEMBL6733600 0.85 KDM4E (0.45) KDM4EMAPTKMT2APOLBALDH1A1
SCHEMBL10370698 0.85 KDM4E (0.47) KDM4EMAPTKMT2APOLBALDH1A1
SCHEMBL6734866 0.85 KDM4E (0.47) 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