SCHEMBL22564068

SCHEMBL22564068

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 1/20 0.35
NPC1 O15118 3/20 0.35
TDP1 Q9NUW8 1/20 0.34
RAB9A P51151 3/20 0.34
PTGER1 P34995 1/20 0.34
GUCY1B2 O75343 5/20 0.34
GUCY1A2 P33402 5/20 0.34
GUCY1A1 Q02108 5/20 0.34
GUCY1B1 Q02153 5/20 0.34
STIM1 Q13586 1/20 0.34
ORAI1 Q96D31 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.33
DNMT1 P26358 1/20 0.33
CASP6 P55212 1/20 0.33
MCL1 Q07820 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL22564169 0.91 HDAC1 (0.35) SGMS2NPC1TDP1RAB9AGUCY1B2
SCHEMBL22564137 0.90 SGMS2 (0.37) SGMS2NPC1TDP1RAB9AGUCY1B2
SCHEMBL22564458 0.88 TDP1 (0.36) SGMS2NPC1TDP1RAB9APTGER1
SCHEMBL18504744 0.87 SGMS2 (0.36) SGMS2NPC1TDP1RAB9APTGER1
SCHEMBL22564164 0.87 ALDH1A1 (0.33) NPC1TDP1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL22564177 0.87 ALKBH1 (0.39) SGMS2NPC1TDP1PTGER1L3MBTL1
SCHEMBL22564543 0.86 SMN1; SMN2 (0.33) NPC1RAB9ASMN1; SMN2LMNAHTT
SCHEMBL22564525 0.86 SGMS2 (0.38) SGMS2TDP1SMN1; SMN2HTTNPSR1
SCHEMBL22563974 0.86 SGMS2 (0.38) SGMS2NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL22564128 0.86 KLKB1 (0.37) TDP1LMNAHTTALKBH1

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