SCHEMBL9726328

SCHEMBL9726328

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.38
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 2/20 0.34
PKM P14618 1/20 0.34
RORC P51449 1/20 0.33
IDO1 P14902 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PDE4D Q08499 1/20 0.31
NFKB1 P19838 2/20 0.31
SLC10A2 Q12908 1/20 0.31
ATF1 P18846 1/20 0.31
PLAT P00750 1/20 0.31
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30

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
SCHEMBL9726332 0.93 KDM4E (0.40) KDM4EMAPTPOLBKMT2AALDH1A1
SCHEMBL9726352 0.88 KDM4E (0.38) KDM4EMAPTPOLBKMT2AALDH1A1
SCHEMBL9589196 0.86 KDM4E (0.40) KDM4EMAPTPOLBKMT2AALDH1A1
SCHEMBL9589270 0.84 KDM4E (0.36) KDM4EMAPTPOLBKMT2AALDH1A1
SCHEMBL10371885 0.81 KDM4E (0.41) KDM4EMAPTPOLBKMT2AALDH1A1
SCHEMBL9726388 0.81 KDM4E (0.41) KDM4EMAPTPOLBKMT2AALDH1A1
SCHEMBL9189663 0.81 KDM4E (0.39) KDM4EMAPTPOLBKMT2AALDH1A1
SCHEMBL9726286 0.79 KDM4E (0.40) KDM4EMAPTPOLBKMT2AALDH1A1
SCHEMBL10369986 0.79 KDM4E (0.47) KDM4EMAPTPOLBKMT2AALDH1A1
SCHEMBL10373253 0.79 KDM4E (0.41) 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
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