SCHEMBL22563872

SCHEMBL22563872

CC(C)Oc1cccc(C(=O)Cl)c1COc1ccn(S)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.36
NR1H4 Q96RI1 2/20 0.34
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
SCN9A Q15858 1/20 0.33
ALDH1A1 P00352 2/20 0.32
ACHE P22303 1/20 0.32
EZH2 Q15910 2/20 0.32
KCNK3 O14649 1/20 0.32
KCNK9 Q9NPC2 1/20 0.32
TP53 P04637 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 2/20 0.31
LMNA P02545 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
FGFR4 P22455 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
POLB P06746 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
SCHEMBL22564283 0.90 NR1H4 (0.38) IRAK4NR1H4IDO1TDO2SCN9A
SCHEMBL22564143 0.89 IRAK4 (0.47) IRAK4IDO1TDO2MEN1KMT2A
SCHEMBL22564212 0.89 IRAK4 (0.36) IRAK4NR1H4IDO1TDO2SCN9A
SCHEMBL22563959 0.89 KCNK3 (0.36) IRAK4NR1H4IDO1TDO2ALDH1A1
SCHEMBL22564503 0.88 IRAK4 (0.35) IRAK4NR1H4IDO1TDO2ALDH1A1
SCHEMBL22564195 0.88 ALDH1A1 (0.35) IRAK4IDO1TDO2ALDH1A1ACHE
SCHEMBL18504496 0.88 IRAK4 (0.36) IRAK4NR1H4IDO1TDO2SCN9A
SCHEMBL22564338 0.88 CTSD (0.35) NR1H4LMNA
SCHEMBL22564541 0.87 KCNK3 (0.35) IRAK4IDO1TDO2ALDH1A1ACHE
SCHEMBL22564316 0.87 KCNK3 (0.35) IRAK4NR1H4IDO1TDO2ALDH1A1

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