SCHEMBL9566249

SCHEMBL9566249

O=C(/C=C/C=C/C1(F)CC1c1ccc(Br)c(Br)c1)NN1CCOCC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.33
EPHX2 P34913 1/20 0.32
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 0.30
RAB9A P51151 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
SCHEMBL9566128 0.90
SCHEMBL9566132 0.90
SCHEMBL8846200 0.79 AKR1C3 (0.32)
SCHEMBL27356803 0.78 KDM1A (0.32)
SCHEMBL9566252 0.77 HTT (0.34) HTTMEN1KMT2ASMN1; SMN2CYP2D6
SCHEMBL9516768 0.77
SCHEMBL9196128 0.77 EGFR (0.42) HTTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL27447172 0.75 MMP1 (0.39) HTTEPHX2MEN1KMT2ANPC1
SCHEMBL9190860 0.75 MMP1 (0.39) HTTEPHX2MEN1KMT2ANPC1
SCHEMBL9193683 0.75 MMP1 (0.40) MEN1KMT2ANPC1RAB9A

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