SCHEMBL8896586

SCHEMBL8896586

C#CCOc1cc(N2C(=O)C3CCCCN3C2C(=O)OCC)c(F)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPOX P50336 12/20 0.49
KDM4E B2RXH2 3/20 0.35
TSHR P16473 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 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
SCHEMBL8896678 0.89 PPOX (0.44) PPOXL3MBTL1
SCHEMBL8895085 0.85 PPOX (0.54) PPOXKDM4ETSHRALDH1A1
SCHEMBL8897929 0.79 TSHR (0.44) PPOXKDM4ETSHRSMN1; SMN2ALDH1A1
SCHEMBL9393563 0.74 PPOX (0.42) PPOX
SCHEMBL31028118 0.74 PPOX (0.45) PPOX
SCHEMBL4077918 0.70 PPOX (0.40) PPOX
SCHEMBL17197210 0.69 PPOX (0.38) PPOX
SCHEMBL10448351 0.68 PPOX (0.43) PPOXGAA
SCHEMBL10690143 0.67 PPOX (0.43) PPOX
SCHEMBL18475704 0.66 PPOX (0.37) PPOX

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-5643855-A Herbicidal imidazolones E. I. DU PONT DE NEMOURS AND COMPANY (US) 1997-07-01 US disclosed
WO-1994014817-A1 HERBICIDAL IMIDAZOLONES AND A PROCESS FOR THEIR MANUFACTURE E.I. DU PONT DE NEMOURS AND COMPANY (US) 1994-07-07 WO disclosed