SCHEMBL8550309

SCHEMBL8550309

CCN(C(=O)n1nnn(CC(C)=O)c1=O)c1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.36
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MLYCD O95822 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 2/20 0.33
HPGD P15428 1/20 0.33
GRIA2 P42262 2/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2A Q12879 2/20 0.32
TP53 P04637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL8543403 0.88 ALDH1A1 (0.45) POLBSMN1; SMN2MAPTALDH1A1HPGD
SCHEMBL8546092 0.83 MC4R (0.34) POLBALDH1A1HPGD
SCHEMBL8549492 0.82 POLB (0.33) THRBPOLBALDH1A1HPGDGRIA2
SCHEMBL8544475 0.77 ALDH1A1 (0.44) SMN1; SMN2MAPTALDH1A1HPGDTP53
SCHEMBL8551629 0.74 TRPM8 (0.34) SMN1; SMN2ALDH1A1LMNATP53
SCHEMBL8551811 0.74 MC4R (0.33) THRBPOLBALDH1A1HPGDGRIA2
SCHEMBL8551640 0.72 ALDH1A1 (0.44) SMN1; SMN2MAPTALDH1A1HPGDTP53
SCHEMBL8546323 0.71 GPBAR1 (0.34) SMN1; SMN2MAPTALDH1A1LMNATP53
SCHEMBL8546039 0.70 ALDH1A1 (0.43) POLBSMN1; SMN2MAPTALDH1A1MLYCD
SCHEMBL8546700 0.70 ALDH1A1 (0.36) POLBSMN1; SMN2MAPTALDH1A1NPSR1

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