SCHEMBL8889161

SCHEMBL8889161

N#Cc1c[nH]c(=O)n(-c2ccc(Cl)cc2F)c1=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.39
AOC3 Q16853 2/20 0.38
KDM4E B2RXH2 6/20 0.38
HTT P42858 1/20 0.38
CHEK1 O14757 1/20 0.37
ALDH1A1 P00352 5/20 0.35
GAA P10253 3/20 0.35
BCAT2 O15382 1/20 0.34
BCAT1 P54687 1/20 0.34
GPR35 Q9HC97 1/20 0.33
DAO P14920 1/20 0.33
IDH1 O75874 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL9711065 0.73 KDM4E (0.36) AOC3KDM4EHTTBCAT2BCAT1
SCHEMBL10644831 0.71 BCAT2 (0.33) KDM4EALDH1A1BCAT2BCAT1LMNA
SCHEMBL8888395 0.71 L3MBTL1 (0.46) MCL1KDM4ECHEK1ALDH1A1GAA
SCHEMBL7084390 0.68 GAA (0.44) MCL1KDM4EALDH1A1GAABCAT1
SCHEMBL6829856 0.66 S1PR4 (0.37) AOC3KDM4EHTT
SCHEMBL22912544 0.66 HTT (0.40) AOC3KDM4EHTTGAABCAT2
SCHEMBL9711057 0.66 AOC3 (0.34) AOC3
SCHEMBL496891 0.66 TRPV4 (0.57) IDH1
SCHEMBL22495466 0.65 HTT (0.40) AOC3KDM4EHTTBCAT2BCAT1
SCHEMBL11271691 0.64 KDM4E (0.34) KDM4EHTTALDH1A1GAAGPR35

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-1997005117-A1 SUBSTITUTED 1-PHENYLURACIL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-02-13 WO disclosed