SCHEMBL8745932

SCHEMBL8745932

C=CCNC(=O)OC(c1cnccn1)c1ccccc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.36
KDM4E B2RXH2 2/20 0.34
CYP24A1 Q07973 1/20 0.34
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
CNR2 P34972 1/20 0.33
SGMS2 Q8NHU3 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DYRK3 O43781 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32
CDK1 P06493 1/20 0.32
CDK2 P24941 1/20 0.32
FLT4 P35916 1/20 0.32
CSNK1D P48730 1/20 0.32
CLK2 P49760 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
LIMK1 P53667 1/20 0.32
CSNK2A1 P68400 1/20 0.32

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
SCHEMBL8745946 0.87 KDM4E (0.39) NOTUMKDM4EKMT2ACNR2SGMS2
SCHEMBL8745913 0.85 NOTUM (0.36) NOTUMKDM4ECYP24A1KMT2ACNR2
SCHEMBL8745959 0.85 HPGD (0.41) KDM4EGAASMN1; SMN2HPGDALDH1A1
SCHEMBL8745943 0.85 NOTUM (0.37) NOTUMKDM4EKMT2AGAASMN1; SMN2
SCHEMBL9028966 0.83 HPGD (0.36) NOTUMCYP24A1GAACNR2SMN1; SMN2
SCHEMBL8745975 0.81 GAA (0.36) NOTUMKDM4EKMT2AGAACNR2
SCHEMBL8745966 0.78 HPGD (0.37) KDM4EKMT2ASMN1; SMN2MEN1PKM
SCHEMBL8745952 0.75 HPGD (0.42) KDM4EKMT2AGAASGMS2SMN1; SMN2
SCHEMBL9270522 0.74 MGLL (0.39) KMT2AMEN1
SCHEMBL8745948 0.71 POLB (0.39) KDM4EKMT2AGAASGMS2SMN1; SMN2

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
EP-0758323-A1 HERBICIDAL HYDROXYBENZYL-SUBSTITUTED HETEROARYL COMPOUNDS AND DERIVATIVES THEREOF ZENECA LIMITED (GB) 1997-02-19 EP disclosed