SCHEMBL22564543

SCHEMBL22564543

O=C(NBr)c1cccc(CF)c1COc1ccn(S)n1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 2/20 0.33
NPC1 O15118 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 2/20 0.32
STAT3 P40763 2/20 0.32
HPGD P15428 1/20 0.32
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
FLT1 P17948 1/20 0.30
KDR P35968 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
SCHEMBL22564378 0.91 PDE5A (0.31)
SCHEMBL22564127 0.90
SCHEMBL22564173 0.90 LMNA (0.34) SMN1; SMN2LMNANPC1HTTRAB9A
SCHEMBL22563884 0.89 FOLH1 (0.32)
SCHEMBL22563845 0.87 FOLH1 (0.34) HTTALDH1A1
SCHEMBL22564152 0.87 HCRTR1 (0.31) SMN1; SMN2LMNANPC1HTTRAB9A
SCHEMBL22563909 0.87 ALDH1A1 (0.34) LMNANPC1HTTRAB9ANPSR1
SCHEMBL22564084 0.86 ALDH1A1 (0.31) ALDH1A1
SCHEMBL22564506 0.86 MEN1 (0.35) KDR
SCHEMBL22564068 0.86 SGMS2 (0.35) SMN1; SMN2LMNANPC1HTTRAB9A

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