SCHEMBL22564541

SCHEMBL22564541

CC(C)Oc1cccc(C(=O)NO)c1COc1ccn(S)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 2/20 0.35
KCNK9 Q9NPC2 2/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
LIG1 P18858 1/20 0.34
EZH2 Q15910 2/20 0.34
SGMS2 Q8NHU3 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ACHE P22303 1/20 0.33
BRPF1 P55201 4/20 0.33
RXFP1 Q9HBX9 1/20 0.33
PRMT5 O14744 1/20 0.33
HDAC4 P56524 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TP53 P04637 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
SCHEMBL22564316 0.92 KCNK3 (0.35) KCNK3KCNK9IRAK4IDO1TDO2
SCHEMBL22563959 0.91 KCNK3 (0.36) KCNK3KCNK9IRAK4IDO1TDO2
SCHEMBL22564099 0.90 ALDH1A1 (0.35) LIG1ALDH1A1KDM4EMEN1MAPT
SCHEMBL18505061 0.88 KCNK3 (0.35) KCNK3KCNK9IRAK4IDO1TDO2
SCHEMBL22564503 0.88 IRAK4 (0.35) IRAK4IDO1TDO2ALDH1A1ACHE
SCHEMBL22564195 0.88 ALDH1A1 (0.35) KCNK3KCNK9IRAK4IDO1TDO2
SCHEMBL22564283 0.88 NR1H4 (0.38) KCNK3KCNK9IRAK4IDO1TDO2
SCHEMBL22564309 0.88 NPC1 (0.37) LIG1RXFP1HDAC4HDAC1HDAC8
SCHEMBL22564196 0.87 HCRTR1 (0.39) KCNK3KCNK9LIG1ALDH1A1RXFP1
SCHEMBL22564143 0.87 IRAK4 (0.47) IRAK4IDO1TDO2BRPF1MEN1

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