SCHEMBL9726332

SCHEMBL9726332

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.40
MAPT P10636 5/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 4/20 0.37
HPGD P15428 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
IDO1 P14902 1/20 0.36
RORC P51449 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
LMNA P02545 2/20 0.34
PDE4D Q08499 1/20 0.34
PKM P14618 1/20 0.34
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL9726352 0.95 KDM4E (0.38) KDM4EMAPTKMT2APOLBALDH1A1
SCHEMBL9726328 0.93 KDM4E (0.38) KDM4EMAPTKMT2APOLBALDH1A1
SCHEMBL9726331 0.84 KDM4E (0.37) KDM4EMAPTKMT2APOLBALDH1A1
SCHEMBL9726316 0.84 KDM4E (0.37) KDM4EMAPTKMT2APOLBALDH1A1
SCHEMBL10369986 0.83 KDM4E (0.47) KDM4EMAPTKMT2APOLBALDH1A1
SCHEMBL10371885 0.83 KDM4E (0.41) KDM4EMAPTKMT2APOLBALDH1A1
SCHEMBL9726388 0.83 KDM4E (0.41) KDM4EMAPTKMT2APOLBALDH1A1
SCHEMBL10373253 0.83 KDM4E (0.41) KDM4EMAPTKMT2APOLBALDH1A1
SCHEMBL9189663 0.82 KDM4E (0.39) KDM4EMAPTKMT2APOLBALDH1A1
SCHEMBL9726383 0.81 KDM4E (0.35) 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 5 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
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