SCHEMBL9664271

SCHEMBL9664271

O=C1C2CCCCN2C(=O)N1c1cc(OCCOc2ccccc2)c(Cl)cc1F

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PPOX P50336 3/20 0.43
AR P10275 1/20 0.39

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
SCHEMBL9665580 0.93 PPOX (0.43) HTR1AMEN1KMT2APPOXAR
SCHEMBL9663499 0.91 PPOX (0.44) HTR1AMEN1KMT2APPOX
SCHEMBL9664424 0.89 PPOX (0.40) HTR1AMEN1KMT2APPOXAR
SCHEMBL9663293 0.87 PPOX (0.44) PPOXAR
SCHEMBL10938117 0.86 PPOX (0.51) HTR1APPOXAR
SCHEMBL9664148 0.85 PPOX (0.45) PPOXAR
SCHEMBL31028118 0.82 PPOX (0.45) PPOXAR
SCHEMBL10613566 0.81 PPOX (0.65) KMT2APPOXAR
SCHEMBL10684157 0.80 PPOX (0.43) MEN1KMT2APPOXAR
SCHEMBL10581189 0.80 PPOX (0.46) MEN1KMT2APPOXAR

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-5090994-A HETEROCYCLIC COMPOUNDS AND HERBICIDAL COMPOSITIONS CONTAINING THE COMPOUNDS AS EFFECTIVE COMPONENTS AGRO-KANESHO CO., LTD. (JP) 1992-02-25 US disclosed