SCHEMBL7966069

SCHEMBL7966069

O=C1COc2cc(F)c(N3NC(=O)N(CCCF)N3)cc2N1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.37
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
NR3C2 P08235 9/20 0.36
SLC6A4 P31645 3/20 0.36
HTR1D P28221 2/20 0.36
HTR1B P28222 2/20 0.36
PARP1 P09874 1/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
MMP12 P39900 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL7964572 0.78 ALDH1A1 (0.30) ALDH1A1
SCHEMBL10623962 0.76 NR3C2 (0.39) HTR1ADRD2HTR2ANR3C2SLC6A4
SCHEMBL7556723 0.71 MMP12 (0.46) HTR1ADRD2HTR2ANR3C2SLC6A4
SCHEMBL4049030 0.69 MMP12 (0.54) NR3C2PARP1TP53MAPTTHRB
SCHEMBL12808579 0.69 MMP12 (0.41) HTR1ADRD2HTR2ANR3C2SLC6A4
SCHEMBL10491107 0.68 MAPT (0.46) HTR1ADRD2HTR2ANR3C2PARP1
SCHEMBL13343855 0.67 NR3C2 (0.51) HTR1ADRD2HTR2ANR3C2SLC6A4
SCHEMBL7968012 0.66 TP53 (0.42) NR3C2PARP1TP53MAPTTHRB
SCHEMBL9843624 0.65 MAPT (0.43) NR3C2TP53MAPTTHRBMMP12
SCHEMBL10592084 0.65 NR3C2 (0.53) HTR1ANR3C2SLC6A4HTR1DHTR1B

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
US-6294503-B1 HERBICIDAL COMPOSITIONS CONTAINING HETEROCYCLES ISHIHARA SANGYO KAISHA, LTD. (JP) 2001-09-25 US disclosed