SCHEMBL8843336

SCHEMBL8843336

CC1CCCCC1n1nn[nH]c1=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 2/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
JAK2 O60674 2/20 0.34
JAK1 P23458 2/20 0.34
JAK3 P52333 2/20 0.34

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
SCHEMBL8842637 0.86 ALDH1A1 (0.38) LMNAALOX12HTTNPSR1
SCHEMBL8038796 0.83 NFE2L2 (0.32)
SCHEMBL8843267 0.82
SCHEMBL8601462 0.77 ALDH1A1 (0.36) HCAR1
SCHEMBL5906267 0.76 ALDH1A1 (0.39) HCAR1MEN1KMT2A
SCHEMBL8843329 0.71 JAK2 (0.38) MAPK1JAK2JAK1JAK3
SCHEMBL8025205 0.71 NFE2L2 (0.33)
SCHEMBL8551872 0.70 SRC (0.38) HCAR1KMT2A
SCHEMBL8842712 0.70 JAK2 (0.39) JAK2JAK1JAK3
SCHEMBL8842662 0.69 NFE2L2 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8259548-A None JP disclosed
CN-1120159-C Intermediate for preparing 1,4-disubstituted tetraazolequinolinone BAYER AGROCHEM KK (JP) 2003-09-03 CN disclosed
CN-1304932-A Intermediate for preparing 1,4-disubstituted tetraazolequinolinone BAYER AGROCHEM KK (JP) 2001-07-25 CN disclosed
CN-1066721-C Novel tetrazolinones BAYER AGROCHEM KK (JP) 2001-06-06 CN disclosed
US-5605920-A HERBICIDES, SELECTIVE IN PADDY FIELDS NIHON BAYER AGROCHEM K.K. (JP) 1997-02-25 US disclosed
CN-1138574-A Novel tetrazolinones BAYER AGROCHEM KK (JP) 1996-12-25 CN disclosed
JP-H08259548-A TETRAZOLINONES AND HERBICIDE NIPPON BAYERAGROCHEM KK 1996-10-08 JP disclosed
EP-0733625-A1 1-Substituted-tetrazolinones and their use as herbicides NIHON BAYER AGROCHEM K.K. (JP) 1996-09-25 EP disclosed