SCHEMBL8686369

SCHEMBL8686369

Cc1cc(C)c(-n2nn[nH]c2=O)c(Cl)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.38
KDM4E B2RXH2 4/20 0.35
HPGD P15428 3/20 0.34
HTT P42858 3/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 1/20 0.34
PSMD14 O00487 1/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 2/20 0.32
LMNA P02545 2/20 0.32
RECQL P46063 1/20 0.32
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 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
SCHEMBL8686907 0.79 KDM4E (0.35) ALDH1A1KDM4ELMNARECQL
SCHEMBL8977207 0.77 ALDH1A1 (0.39) ALDH1A1KDM4EHTTKMT2AMEN1
SCHEMBL8686381 0.76 RXFP1 (0.38)
SCHEMBL8686501 0.74 TLR8 (0.32)
SCHEMBL8598961 0.71 MAPK11 (0.39) ALDH1A1MAPK1HTTKMT2ATSHR
SCHEMBL8977225 0.70 ALDH1A1 (0.39) ALDH1A1MAPK1POLBHTTKMT2A
SCHEMBL9730122 0.70 GRIN2D (0.41) HTTKMT2AL3MBTL1GAAGRIN2D
SCHEMBL8304891 0.69 NFE2L2 (0.30)
SCHEMBL6334602 0.69 KDM4E (0.36) ALDH1A1MAPK1KDM4EHPGDL3MBTL1
SCHEMBL5906007 0.68 GRIN2D (0.31) ALDH1A1SMN1; SMN2KDM4EHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5710278-A Herbicidal 1-pyridyltetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1998-01-20 US disclosed
US-5641727-A Herbicidal 1-pyridyltetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1997-06-24 US disclosed
EP-0692482-A2 1-pyridyltetrazolinone derivatives NIHON BAYER AGROCHEM K.K. (JP) 1996-01-17 EP disclosed