SCHEMBL8599864

SCHEMBL8599864

CCCCCOC(=O)COc1cc(-n2nn[nH]c2=O)c(F)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPOX P50336 3/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
ALDH1A1 P00352 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
PKM P14618 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPK1 P28482 1/20 0.36
TSHR P16473 1/20 0.35
THRB P10828 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.33
RECQL P46063 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
SCHEMBL8602652 0.86 LMNA (0.49) PPOXL3MBTL1ALDH1A1TDP1PKM
SCHEMBL4678346 0.77 PPOX (0.45) PPOXL3MBTL1ALDH1A1TDP1PKM
SCHEMBL10845648 0.76 PPOX (0.47) PPOXL3MBTL1ALDH1A1TDP1PKM
SCHEMBL8598336 0.76 ALDH1A1 (0.57) PPOXL3MBTL1ALDH1A1TDP1PKM
Flumiciorac-Pentyl SCHEMBL38955 0.76 PPOX (0.57) PPOXL3MBTL1ALDH1A1TDP1PKM
SCHEMBL11803571 0.74 ALDH1A1 (0.67) PPOXL3MBTL1ALDH1A1TDP1PKM
SCHEMBL4677084 0.73 PPOX (0.46) PPOXL3MBTL1ALDH1A1TDP1PKM
SCHEMBL9069572 0.73 L3MBTL1 (0.54) PPOXL3MBTL1ALDH1A1TDP1PKM
SCHEMBL8602802 0.72 PPOX (0.50) PPOXALDH1A1TDP1GAAMAPT
SCHEMBL8603144 0.72 ALDH1A1 (0.62) PPOXL3MBTL1ALDH1A1TDP1PKM

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5767286-A REACTING A TETRAZOLINONE WITH A CARBAMOYL CHLORIDE IN THE PRESENCE OF 4-DIMETHYLAMINOPYRIDINE NIHON BAYER AGROCHEM K. K. (JP) 1998-06-16 US disclosed
EP-0646577-B1 Process for the preparation of 1,4-disubstituted-5(4H)-tetrazolinones BAYER AGROCHEM KK (JP) 1998-06-03 EP disclosed
EP-0643049-B1 A process for the preparation of 1-substituted-5(4H)-tetrazolinones BAYER AGROCHEM KK (JP) 1997-05-14 EP disclosed
US-5502204-A REACTING WITH ETHYLENE OXIDE DERIVATIVE NIHON BAYER AGROCHEM K.K. (JP) 1996-03-26 US disclosed
EP-0646577-A1 Process for the preparation of 1,4-disubstituted-5(4H)-tetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1995-04-05 EP disclosed
EP-0643049-A1 A process for the preparation of 1-substituted-5(4H)-tetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1995-03-15 EP disclosed