SCHEMBL11178129

SCHEMBL11178129

ClC(Br)CCCCn1cccn1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
FDPS P14324 1/20 0.35
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.33
DAO P14920 1/20 0.33
HTT P42858 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
KCNA3 P22001 1/20 0.31
KCNA5 P22460 1/20 0.31

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
SCHEMBL11169470 0.95 FDPS (0.36) L3MBTL1FDPSLMNATSHRDAO
SCHEMBL11165954 0.87 FDPS (0.38) L3MBTL1FDPSLMNATSHRDAO
SCHEMBL7100687 0.80 DAO (0.43) L3MBTL1FDPSTSHRDAOHTT
SCHEMBL438475 0.78 L3MBTL1 (0.48) L3MBTL1FDPSLMNATSHRDAO
SCHEMBL9486879 0.75 DAO (0.38) L3MBTL1FDPSTSHRDAOHTT
SCHEMBL18543119 0.73 DAO (0.37) L3MBTL1FDPSTSHRDAOHTT
SCHEMBL9528310 0.73 GAA (0.39) L3MBTL1FDPSLMNATSHRDAO
SCHEMBL45207 0.72 TLR8 (0.44) L3MBTL1FDPSLMNADAOHTT
SCHEMBL4116864 0.72
SCHEMBL1426071 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4369056-A Substituted pyrazolylmethyl-haloacetanilide compounds and herbicidal compositions BAYER AKTIENGESELLSCHAFT (DE) 1983-01-18 US disclosed
EP-0008057-B1 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED ALPHA-HALOACETANILIDES BAYER AG (DE) 1982-05-12 EP disclosed
EP-0008056-B1 N-SUBSTITUTED PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND N-HYDROXYALKYLPYRAZOLES OBTAINED IN THE COURSE OF THIS PROCESS BAYER AG (DE) 1981-09-16 EP disclosed
EP-0008091-A1 Substituted N-pyrazolylmethyl-haloacetanilides, process for their preparation and their use as herbicides BAYER AG (DE) 1980-02-20 EP disclosed