SCHEMBL22564086

SCHEMBL22564086

CC(C)Oc1cccc(Br)c1COc1ccn(S)n1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32

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
SCHEMBL22564079 0.86 HTR2A (0.32)
SCHEMBL22564313 0.85 NR1H4 (0.36) MEN1POLBKMT2A
SCHEMBL22563832 0.85 MCHR1 (0.35) MEN1POLBKMT2ANISCHHTR1A
SCHEMBL18504714 0.85 NISCH (0.33) MEN1POLBKMT2ANISCHHTR1A
SCHEMBL22564306 0.85 ALDH1A1 (0.32) MEN1KMT2A
SCHEMBL22564330 0.84 MEN1 (0.33) MEN1POLBKMT2ANISCHADRA2A
SCHEMBL22564495 0.84
SCHEMBL22563855 0.84 GABRA1 (0.35)
SCHEMBL22564119 0.83 MEN1 (0.32) MEN1POLBKMT2ANISCH
SCHEMBL22564455 0.83

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-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP disclosed