SCHEMBL10370698

SCHEMBL10370698

CCOC(=O)c1c(C(F)(F)F)nc(C(F)(F)F)c(C(=O)OCC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.47
MAPT P10636 4/20 0.43
POLB P06746 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 6/20 0.42
HPGD P15428 4/20 0.42
GAA P10253 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP3A4 P08684 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
IDO1 P14902 1/20 0.40
PDE4D Q08499 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
RORC P51449 1/20 0.39
LMNA P02545 2/20 0.39
PKM P14618 1/20 0.39
FHIT P49789 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL10352473 0.91 KDM4E (0.43) KDM4EMAPTPOLBKMT2AALDH1A1
SCHEMBL10351682 0.87 KDM4E (0.40) KDM4EMAPTPOLBKMT2AALDH1A1
SCHEMBL10373292 0.87 KDM4E (0.50) KDM4EMAPTPOLBKMT2AALDH1A1
SCHEMBL10351676 0.86 KDM4E (0.42) KDM4EMAPTPOLBKMT2AALDH1A1
SCHEMBL9726366 0.85 KDM4E (0.50) KDM4EMAPTPOLBKMT2AALDH1A1
SCHEMBL10370033 0.83 KDM4E (0.49) KDM4EMAPTPOLBKMT2AALDH1A1
SCHEMBL10364719 0.83 KDM4E (0.50) KDM4EMAPTPOLBKMT2AALDH1A1
SCHEMBL10351858 0.82 KDM4E (0.39) KDM4EMAPTPOLBKMT2AALDH1A1
SCHEMBL9726378 0.82 KDM4E (0.48) KDM4EMAPTPOLBKMT2AALDH1A1
SCHEMBL10370830 0.82 KDM4E (0.55) KDM4EMAPTPOLBKMT2AALDH1A1

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
EP-0182769-B1 2,6-SUBSTITUTED PYRIDINE COMPOUNDS Monsanto Company (US) 1990-08-01 EP disclosed
US-4921530-A Certain 3,5-pyridine dicarboxylates, their thio analogues having herbicidal activity MONSANTO COMPANY (US) 1990-05-01 US disclosed
US-4835279-A 2,6-substituted pyridine compounds MONSANTO COMPANY (US) 1989-05-30 US disclosed
US-4797149-A HERBICIDES MONSANTO COMPANY (US) 1989-01-10 US disclosed
US-4698093-A POST, PRE EMERGENTS MONSANTO COMPANY (US) 1987-10-06 US disclosed
EP-0182769-A1 2,6-Substituted pyridine compounds Monsanto Company (US) 1986-05-28 EP disclosed