SCHEMBL22564098

SCHEMBL22564098

O=C(NCl)c1cccc(OCF)c1COc1ccn(S)n1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 3/20 0.32
LMNA P02545 1/20 0.31
NPC1 O15118 1/20 0.31
GUCY1B2 O75343 4/20 0.30
GUCY1A2 P33402 4/20 0.30
GUCY1A1 Q02108 4/20 0.30
GUCY1B1 Q02153 4/20 0.30
GRM4 Q14833 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
SCHEMBL22564320 0.90 NPC1 (0.31) SGMS2NPC1
SCHEMBL22564311 0.90 LIG1 (0.35) SGMS2NPC1
SCHEMBL22564540 0.89 HCRTR1 (0.38) LMNA
SCHEMBL18504616 0.88 SGMS2 (0.32) SGMS2GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL22564144 0.88 NPC1 (0.36) LMNANPC1
SCHEMBL22564244 0.88 ALDH1A1 (0.31)
SCHEMBL22564292 0.88 SMN1; SMN2 (0.36) LMNANPC1GRM4
SCHEMBL22564291 0.88 KCNK3 (0.35) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL22564009 0.87 APEX1 (0.34) NPC1
SCHEMBL22564365 0.86 NR1H4 (0.30) NPC1

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