SCHEMBL1289794

SCHEMBL1289794

O=C(O)c1cc2ccncc2n(-c2ccc(F)cc2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.44
AOC3 Q16853 11/20 0.43
KCNH2 Q12809 5/20 0.43
AOC2 O75106 3/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MET P08581 1/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HPD P32754 1/20 0.37

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
SCHEMBL1289868 0.83 TSHR (0.45) AOC3KDM4ELMNAPOLBALDH1A1
SCHEMBL31339896 0.78 NOTUM (0.48) NOTUMKDM4ELMNAPOLB
SCHEMBL31339931 0.75 IDO1 (0.35) AOC3KCNH2KDM4EALDH1A1
SCHEMBL31339844 0.75 CYP19A1 (0.38) AOC3KCNH2KDM4EALDH1A1
SCHEMBL14243372 0.73 NOTUM (0.46) NOTUMKDM4ELMNAMETPOLB
SCHEMBL31339912 0.72 TDP2 (0.45) NOTUMKCNH2KDM4EALDH1A1
SCHEMBL18044696 0.72 ALDH1A1 (0.50) KDM4EALDH1A1GAA
SCHEMBL31339969 0.72 IDO1 (0.38) ALDH1A1GAA
SCHEMBL17621637 0.72 AOC2 (0.57) AOC3KCNH2AOC2
SCHEMBL23147363 0.70 NOTUM (0.61) NOTUMKDM4ELMNAPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012045721-A2 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2012-04-12 WO disclosed