SCHEMBL8546323

SCHEMBL8546323

CC(=O)Cn1nnn(C(=O)N(c2ccc(Cl)cc2)C(C)C)c1=O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.34
ALDH1A1 P00352 4/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KCNK3 O14649 1/20 0.33
KCNK9 Q9NPC2 1/20 0.33
MAPKAPK2 P49137 1/20 0.32
GPR139 Q6DWJ6 5/20 0.32
MAPT P10636 2/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
LIPE Q05469 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
USP2 O75604 1/20 0.32
MT-CO2 P00403 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
SCHEMBL8551629 0.89 TRPM8 (0.34) ALDH1A1LMNATP53SMN1; SMN2GPR139
SCHEMBL8551340 0.88 GPBAR1 (0.33) GPBAR1ALDH1A1LMNATP53SMN1; SMN2
SCHEMBL8546092 0.88 MC4R (0.34) ALDH1A1GPR139
SCHEMBL8546039 0.88 ALDH1A1 (0.43) ALDH1A1LMNATP53SMN1; SMN2MAPT
SCHEMBL8550123 0.84 GPBAR1 (0.34) GPBAR1ALDH1A1LMNATP53SMN1; SMN2
SCHEMBL8551702 0.82 ALDH1A1 (0.34) GPBAR1ALDH1A1LMNATP53SMN1; SMN2
SCHEMBL8549492 0.78 POLB (0.33) GPBAR1ALDH1A1GPR139
SCHEMBL8546700 0.77 ALDH1A1 (0.36) ALDH1A1LMNATP53SMN1; SMN2MAPT
SCHEMBL8550517 0.77 TRPM8 (0.33) ALDH1A1LMNATP53SMN1; SMN2GPR139
SCHEMBL8551811 0.76 MC4R (0.33) ALDH1A1GPR139

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
EP-0820994-A1 Tetrazolinones as herbicides and intermediates NIHON BAYER AGROCHEM K.K. (JP) 1998-01-28 EP disclosed