SCHEMBL22564516

SCHEMBL22564516

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
HCRTR1 O43613 6/20 0.32
HCRTR2 O43614 6/20 0.32
SCN9A Q15858 3/20 0.31
KCNK3 O14649 3/20 0.31
KCNK9 Q9NPC2 3/20 0.31
SCN10A Q9Y5Y9 1/20 0.31
GUCY1B2 O75343 3/20 0.31
GUCY1A2 P33402 3/20 0.31
GUCY1A1 Q02108 3/20 0.31
GUCY1B1 Q02153 3/20 0.31
RXFP1 Q9HBX9 1/20 0.31
F2R P25116 1/20 0.31
FFAR1 O14842 1/20 0.30
NR1H4 Q96RI1 1/20 0.30

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
SCHEMBL22563835 0.90 RXRA (0.39) RXRARXRBRXRGHCRTR1HCRTR2
SCHEMBL22563947 0.89 KCNK3 (0.34) RXRARXRBRXRGSCN9AKCNK3
SCHEMBL22564383 0.89 SCN9A (0.38) RXRARXRBRXRGSCN9ASCN10A
SCHEMBL22564344 0.89 RXRA (0.33) RXRARXRBRXRGHCRTR1HCRTR2
SCHEMBL18504763 0.88 RXRA (0.36) RXRARXRBRXRGHCRTR1HCRTR2
SCHEMBL22564482 0.87 KCNK3 (0.36) HCRTR1HCRTR2KCNK3KCNK9F2R
SCHEMBL22564308 0.87 HDAC6 (0.39) RXRARXRBRXRGSCN9AKCNK3
SCHEMBL22564365 0.87 NR1H4 (0.30) NR1H4
SCHEMBL22564291 0.86 KCNK3 (0.35) RXRARXRBRXRGSCN9AKCNK3
SCHEMBL22564307 0.85 NPC1 (0.36) SCN9A

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