SCHEMBL7556544

SCHEMBL7556544

Cn1nc(-c2cc3c(cc2F)OCC(=O)N3)c(Cl)c1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 14/20 0.46
PGR P06401 6/20 0.46
NR3C1 P04150 2/20 0.38
KIF11 P52732 1/20 0.38
MAPT P10636 1/20 0.38
MCL1 Q07820 1/20 0.38
AR P10275 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL8565740 0.96 NR3C2 (0.46) NR3C2PGRNR3C1KIF11MAPT
SCHEMBL6848865 0.81 PARP1 (0.35) NR3C2PGRPDE3BPDE3A
SCHEMBL6848824 0.81 PARP1 (0.35) NR3C2PGRPDE3BPDE3A
SCHEMBL10482600 0.80 NR3C2 (0.51) NR3C2PGRNR3C1MAPTAR
SCHEMBL6843959 0.78 NR3C2 (0.37) NR3C2PGRNR3C1AR
SCHEMBL7749160 0.78 PGR (0.32) NR3C2PGR
SCHEMBL6726966 0.77 NR3C2 (0.38) NR3C2PGRKIF11MAPTMCL1
SCHEMBL8177519 0.76 NR3C2 (0.41) NR3C2PGRNR3C1MAPTAR
SCHEMBL8564548 0.74 MEN1 (0.33)
SCHEMBL8564544 0.74 MEN1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002006277-A1 SUBSTITUTED BENZO-NITRO-HETEROCYCLES AND USE THEREOF AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2002-01-24 WO disclosed
EP-0553307-B1 HERBICIDAL SUBSTITUTED ARYL-HALOALKYLPYRAZOLES MONSANTO CO (US) 1998-12-09 EP disclosed
EP-0791571-A1 Benzoyl derivatives MONSANTO COMPANY (US) 1997-08-27 EP disclosed
US-5536700-A Herbicidal compositions comprising aryl-5-haloalkylpyrazoles and glyphosate, it's salts, diquat or paraquat MONSANTO COMPANY (US) 1996-07-16 US disclosed
US-5530126-A ALKYLATION IN INERT SOLVENT MONSANTO COMPANY (US) 1996-06-25 US disclosed
US-5496956-A BY ESTERIFICATION OF CARBOXY SUBSTITUTION WITH ALCOHOLS IN THE PRESENCE OF MINERAL ACID MONSANTO COMPANY (US) 1996-03-05 US disclosed
US-5489571-A CROP-SAFE COMPOUNDS EFFECTIVE AT LOW CONCENTRATIONS MONSANTO COMPANY (US) 1996-02-06 US disclosed
US-5281571-A Herbicidal benzoxazinone- and benzothiazinone-substituted pyrazoles MONSANTO COMPANY (US) 1994-01-25 US disclosed
EP-0553307-A1 HERBICIDAL SUBSTITUTED ARYL-HALOALKYLPYRAZOLES MONSANTO COMPANY (US) 1993-08-04 EP disclosed
WO-1992006962-A1 HERBICIDAL SUBSTITUTED ARYL-HALOALKYLPYRAZOLES MONSANTO COMPANY (US) 1992-04-30 WO disclosed