SCHEMBL18504897

SCHEMBL18504897

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MGLL Q99685 1/20 0.36
KLKB1 P03952 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
ROCK2 O75116 2/20 0.33
TP53 P04637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
IDO1 P14902 2/20 0.33
TDO2 P48775 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CTSK P43235 2/20 0.32
THRB P10828 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
NPBWR1 P48145 1/20 0.32

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
SCHEMBL18500952 0.86 MGLL (0.51) POLBCYP1A2CYP3A4MGLLSMN1; SMN2
SCHEMBL16490961 0.85 ALDH1A1 (0.31) POLBCYP1A2CYP3A4SMN1; SMN2ROCK2
SCHEMBL18504304 0.84 MGLL (0.39) POLBCYP1A2CYP3A4MGLLSMN1; SMN2
SCHEMBL18503912 0.80 IDO1 (0.50) POLBCYP1A2CYP3A4MGLLSMN1; SMN2
SCHEMBL18500481 0.79 ALDH1A1 (0.39) POLBCYP1A2CYP3A4MGLLSMN1; SMN2
SCHEMBL18500391 0.78 TP53 (0.36) POLBCYP1A2CYP3A4SMN1; SMN2TP53
SCHEMBL18504499 0.78 IDO1 (0.49) POLBMGLLKDM4EIDO1TDO2
SCHEMBL18504503 0.78 CYP1A2 (0.56) POLBCYP1A2CYP3A4MGLLTP53
SCHEMBL18504528 0.76 FAAH (0.46) POLBCYP1A2CYP3A4MGLLSMN1; SMN2
SCHEMBL22563846 0.76 GSK3A (0.49) POLBCYP1A2CYP3A4MGLLALDH1A1

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