SCHEMBL18504528

SCHEMBL18504528

Cn1nnn(-c2cccc(I)c2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.46
MGLL Q99685 1/20 0.46
MPO P05164 1/20 0.41
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
MPI P34949 1/20 0.38
HSD11B1 P28845 1/20 0.37
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 2/20 0.35
IDO1 P14902 4/20 0.35
TDO2 P48775 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
BCHE P06276 1/20 0.33
S1PR4 O95977 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
SCHEMBL16490950 0.84 FAAH (0.33) FAAHMGLLCYP1A2POLBCYP3A4
SCHEMBL18504503 0.81 CYP1A2 (0.56) MGLLCYP1A2POLBCYP3A4ALDH1A1
SCHEMBL18504499 0.81 IDO1 (0.49) MGLLMPOPOLBALDH1A1LMNA
SCHEMBL18503912 0.80 IDO1 (0.50) FAAHMGLLCYP1A2POLBCYP3A4
SCHEMBL1942309 0.80 ADRA2C (0.45) CYP1A2POLBCYP3A4ALDH1A1MAPT
SCHEMBL22563846 0.80 GSK3A (0.49) MGLLCYP1A2POLBCYP3A4KEAP1
SCHEMBL15790778 0.79 RAB9A (0.55) MGLLCYP1A2POLBALDH1A1LMNA
SCHEMBL8301872 0.78 ALDH1A1 (0.51) NFE2L2ALDH1A1MAPTTP53IDO1
SCHEMBL18500952 0.78 MGLL (0.51) MGLLCYP1A2POLBCYP3A4ALDH1A1
SCHEMBL18504308 0.78 ALOX5 (0.43) CYP1A2POLBCYP3A4HSD11B1KEAP1

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 2 patents. 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
US-9565856-B2 Tetrazolinone compounds and its use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-14 US disclosed