SCHEMBL10369986

SCHEMBL10369986

CCOC(=O)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)OCC)c1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.47
IDO1 P14902 1/20 0.41
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
ALDH1A1 P00352 6/20 0.40
HPGD P15428 5/20 0.40
MAPT P10636 4/20 0.40
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
FHIT P49789 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
RORC P51449 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL9668675 0.88 KDM4E (0.46) KDM4EIDO1LMNAPKMALDH1A1
SCHEMBL10370830 0.87 KDM4E (0.55) KDM4EIDO1LMNAPKMALDH1A1
SCHEMBL10688342 0.86 KDM4E (0.44) KDM4EIDO1LMNAPKMALDH1A1
SCHEMBL10373253 0.84 KDM4E (0.41) KDM4EIDO1LMNAPKMALDH1A1
SCHEMBL10371885 0.84 KDM4E (0.41) KDM4EIDO1LMNAPKMALDH1A1
SCHEMBL9726388 0.84 KDM4E (0.41) KDM4EIDO1LMNAPKMALDH1A1
SCHEMBL9588985 0.84 KDM4E (0.43) KDM4EIDO1LMNAPKMALDH1A1
SCHEMBL9726332 0.83 KDM4E (0.40) KDM4EIDO1LMNAPKMALDH1A1
SCHEMBL9726407 0.82 KDM4E (0.41) KDM4EIDO1LMNAPKMALDH1A1
SCHEMBL9726286 0.82 KDM4E (0.40) KDM4EIDO1LMNAPKMALDH1A1

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