SCHEMBL9566252

SCHEMBL9566252

O=C(/C=C/C=C/C1C(F)C1c1ccc(Br)c(Br)c1)NN1CCOCC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
CYP2D6 P10635 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL9566130 0.90
SCHEMBL9566137 0.90
SCHEMBL9566249 0.77 HTT (0.33) HTTMEN1KMT2ASMN1; SMN2CYP2D6
SCHEMBL9566170 0.77
SCHEMBL8846207 0.77 AKR1C3 (0.33)
SCHEMBL9190928 0.77 AKR1C3 (0.33)
SCHEMBL9580375 0.75
SCHEMBL9253964 0.73 MMP1 (0.41) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL9566168 0.72 FAAH (0.39)
SCHEMBL9192049 0.71 RAB9A (0.48) HTTMEN1KMT2ASMN1; SMN2NPC1

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
EP-0547972-A1 Heterocyclic amide derivatives and their use as pesticides ROUSSEL-UCLAF (FR) 1993-06-23 EP claimed