SCHEMBL22563835

SCHEMBL22563835

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
MRGPRX4 Q96LA9 3/20 0.34
DHODH Q02127 1/20 0.34
KDM4A O75164 1/20 0.33
KDM5A P29375 1/20 0.33
NR1H4 Q96RI1 3/20 0.33
APEX1 P27695 1/20 0.33
HSD17B13 Q7Z5P4 1/20 0.33
PRKAG1 P54619 1/20 0.32
PRKAA2 P54646 1/20 0.32
PRKAB1 Q9Y478 1/20 0.32
FOLH1 Q04609 1/20 0.32
KCNH2 Q12809 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
GABRA5 P31644 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 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
SCHEMBL22564516 0.90 RXRA (0.36) RXRARXRBRXRGNR1H4HCRTR1
SCHEMBL22564383 0.90 SCN9A (0.38) RXRARXRBRXRGSCN9A
SCHEMBL22564344 0.90 RXRA (0.33) RXRARXRBRXRGHCRTR1HCRTR2
SCHEMBL22564308 0.88 HDAC6 (0.39) RXRARXRBRXRGSCN9AKCNK3
SCHEMBL22563947 0.88 KCNK3 (0.34) RXRARXRBRXRGSCN9AKCNK3
SCHEMBL22564482 0.88 KCNK3 (0.36) MRGPRX4GABRA5HCRTR1HCRTR2KCNK3
SCHEMBL18504652 0.88 RXRA (0.39) RXRARXRBRXRGMRGPRX4DHODH
SCHEMBL22564291 0.87 KCNK3 (0.35) RXRARXRBRXRGSCN9AKCNK3
SCHEMBL22564302 0.86 SCN9A (0.40) MRGPRX4GABRA5HCRTR1HCRTR2SCN9A
SCHEMBL22564009 0.86 APEX1 (0.34) MRGPRX4NR1H4APEX1FOLH1

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