SCHEMBL18504489

SCHEMBL18504489

CCc1cccc(-n2nn[nH]c2=O)c1I

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.36
HSP90AA1 P07900 1/20 0.34
DAO P14920 3/20 0.34
NPEPPS P55786 1/20 0.34
LMNA P02545 3/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
HCAR1 Q9BXC0 1/20 0.33
HTR1A P08908 2/20 0.33
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
DRD3 P35462 2/20 0.33
ALOX5 P09917 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
ATM Q13315 1/20 0.32
KCNN4 O15554 1/20 0.31

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
SCHEMBL18504538 0.90 DAO (0.38) MGLLHSP90AA1DAOHTR2AHTR2C
SCHEMBL18504318 0.88 KCNN4 (0.32) KCNN4
SCHEMBL8977216 0.86 MGLL (0.44) MGLLHSP90AA1DAONPEPPSLMNA
SCHEMBL18504519 0.82 DAO (0.34) MGLLHSP90AA1DAOLMNAHCAR1
SCHEMBL18503916 0.81 MGLL (0.33) MGLL
SCHEMBL18504541 0.81 NPSR1 (0.33) LMNAMAPTHTR2CALDH1A1TSHR
SCHEMBL18503965 0.81 DAO (0.39) DAOLMNAMEN1MAPTKMT2A
SCHEMBL18504514 0.80 ERCC5 (0.33) MGLLHSP90AA1DAOHCAR1ALOX5
SCHEMBL18504488 0.79 MEN1 (0.35) MGLLHSP90AA1DAOMEN1MAPT
SCHEMBL18504534 0.79 FEN1 (0.33) MGLLHCAR1

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