SCHEMBL6848824

SCHEMBL6848824

C[C@H]1Oc2cc(F)c(-c3nn(C)c(C(F)(F)F)c3Cl)cc2NC1=O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.35
CECR2 Q9BXF3 1/20 0.34
PDE3B Q13370 3/20 0.33
PDE3A Q14432 3/20 0.33
DRD2 P14416 2/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
PGR P06401 1/20 0.30
NR3C2 P08235 1/20 0.30
HTR1A P08908 1/20 0.30
HTR7 P34969 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL6848865 1.00 PARP1 (0.35) PARP1CECR2PDE3BPDE3ADRD2
SCHEMBL7556544 0.81 NR3C2 (0.46) PDE3BPDE3APGRNR3C2
SCHEMBL6843953 0.80
SCHEMBL6843956 0.80
SCHEMBL7749245 0.79
SCHEMBL6848020 0.77
SCHEMBL6848017 0.77
SCHEMBL8565740 0.77 NR3C2 (0.46) PGRNR3C2
SCHEMBL6849418 0.73 GAA (0.31)
SCHEMBL6849421 0.73 GAA (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6770596-B1 Fused tricyclic compounds, process for their preparation, and herbicidal compositions containing them ISHIHARA SANGYO KAISHA LTD. (JP) 2004-08-03 US disclosed
WO-2000073277-A1 FUSED TRICYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND HERBICIDAL COMPOSITIONS CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 2000-12-07 WO disclosed