SCHEMBL12499819

SCHEMBL12499819

C=C(c1c(N)nc(-c2ccc(Cl)c(F)c2F)nc1C(=O)OC)[Si](C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
PKM P14618 2/20 0.35
RCE1 Q9Y256 1/20 0.35
KLKB1 P03952 3/20 0.34
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CFTR P13569 1/20 0.30
PDGFRB P09619 2/20 0.30
KDR P35968 2/20 0.30
SCN10A Q9Y5Y9 2/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
POLB P06746 1/20 0.30
LMNA P02545 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
SCHEMBL1478316 0.83 KDM4E (0.39) KDM4EPKMRCE1KLKB1ALDH1A1
SCHEMBL11028213 0.82 KDM4E (0.39) KDM4EPKMRCE1KLKB1ALDH1A1
SCHEMBL718435 0.81 TAS1R3 (0.37) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL1917989 0.81 TAS1R3 (0.37) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL1918801 0.81 KDM4E (0.36) KDM4EPKMRCE1KLKB1ALDH1A1
SCHEMBL718750 0.78 KDM4E (0.33) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL719379 0.78 TAS1R3 (0.38) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL11027458 0.78 KDM4E (0.34) KDM4EPKMRCE1KLKB1ALDH1A1
SCHEMBL11027454 0.78 KDM4E (0.34) KDM4EPKMRCE1KLKB1ALDH1A1
SCHEMBL718835 0.77 KDM4E (0.35) KDM4EPKMRCE1KLKB1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2667717-A2 6-AMINO-2-SUBSTITUTED-5-VINYLSILYLPYRIMIDINE-4-CARBOXYLIC ACIDS AND ESTERS AND 4-AMINO-6-SUBSTITUTED-3-VINYLSILYLPYRIDINE-2-CARBOXYLIC ACIDS AND ESTERS AS HERBICIDES Dow AgroSciences LLC (US) 2013-12-04 EP disclosed
WO-2012103051-A2 6-AMINO-2-SUBSTITUTED-5-VINYLSILYLPYRIMIDINE-4-CARBOXYLIC ACIDS AND ESTERS AND 4-AMINO-6-SUBSTITUTED-3-VINYLSILYLPYRIDINE-2-CARBOXYLIC ACIDS AND ESTERS AS HERBICIDES DOW AGROSCIENCES LLC (US) 2012-08-02 WO disclosed