SCHEMBL22564535

SCHEMBL22564535

NC(=O)c1cccc(OC(F)F)c1COc1ccn(S)n1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.34
JAK3 P52333 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TBXAS1 P24557 1/20 0.33
HTT P42858 3/20 0.33
PARP1 P09874 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.32
LMNA P02545 3/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KLKB1 P03952 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 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
SCHEMBL22563858 0.90 TAS2R14 (0.35) MEN1KMT2AHTTSMN1; SMN2LMNA
SCHEMBL22564143 0.89 IRAK4 (0.47) JAK3IRAK4MEN1KMT2ATBXAS1
SCHEMBL22564366 0.89 SMN1; SMN2 (0.34) HTTSMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL18504446 0.88 ROCK2 (0.35) ROCK2JAK3IRAK4MEN1KMT2A
SCHEMBL22564099 0.87 ALDH1A1 (0.35) MEN1KMT2AHTTSMN1; SMN2LMNA
SCHEMBL22563951 0.87 KLKB1 (0.36) KMT2AHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL22564299 0.87 KMT2A (0.34) MEN1KMT2ATBXAS1HTTPARP1
SCHEMBL22564292 0.86 SMN1; SMN2 (0.36) HTTSMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL22563984 0.85 TBXAS1 (0.37) TBXAS1HTTSMN1; SMN2LMNAALDH1A1
SCHEMBL22564534 0.85 LMNA (0.39) JAK3MEN1KMT2ATBXAS1HTT

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