SCHEMBL8043277

SCHEMBL8043277

N#CC(C(=O)c1ccc(S(F)(F)(F)(F)F)cc1[N+](=O)[O-])C(=O)C1CC1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPD P32754 2/20 0.34
L3MBTL3 Q96JM7 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 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
SCHEMBL8048258 0.79
SCHEMBL8048865 0.76 GSK3B (0.31)
SCHEMBL8045049 0.73 MAPT (0.34) HPDL3MBTL3L3MBTL1POLBMAPT
SCHEMBL8048879 0.72 CES2 (0.37) HPDPOLBMAPT
SCHEMBL8031398 0.71 DTYMK (0.45) TDP1POLBMAPT
SCHEMBL3954105 0.66 DHODH (0.37) HPD
SCHEMBL8953184 0.66 NOTUM (0.36) MAPT
SCHEMBL8030838 0.65 MAPT (0.33) HPDMAPT
SCHEMBL8041957 0.65 VCAM1 (0.58) L3MBTL1TDP1POLBMAPT
SCHEMBL8953493 0.65 HPD (0.63) HPDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5849928-A Herbicidal isoxazole and 2-cyano-1,3-dione compounds RHONE-POULENC AGRICULTURE LIMITED (GB) 1998-12-15 US claimed
JP-10036206-A None JP disclosed
US-6140528-A ALKYL PENTAFLUOROSULFANYL-SUBSTITUTED-BENZOATES RHONE-POULENC AGRICULTURE LTD (GB) 2000-10-31 US disclosed
US-6013805-A USED AS HERBICIDES RHONE-POULENC AGRICULTURE LTD (GB) 2000-01-11 US disclosed
US-5849928-A Herbicidal isoxazole and 2-cyano-1,3-dione compounds RHONE-POULENC AGRICULTURE LIMITED (GB) 1998-12-15 US disclosed
JP-H1036206-A NEW HERBICIDE RHONE POULENC AGRICULTURE LTD 1998-02-10 JP disclosed