SCHEMBL8550504

SCHEMBL8550504

CC(C)N(C(=O)n1nnn(CC=O)c1=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.37
TRPM8 Q7Z2W7 3/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
MLYCD O95822 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 2/20 0.34
CCKAR P32238 1/20 0.32
CCKBR P32239 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
SCHEMBL8545512 0.89 TRPM8 (0.36) ALDH1A1LMNATP53SMN1; SMN2TRPM8
SCHEMBL7977970 0.89 ALDH1A1 (0.42) ALDH1A1LMNATP53SMN1; SMN2NPSR1
SCHEMBL8551886 0.88 MC4R (0.32) ALDH1A1LMNATP53SMN1; SMN2KMT2A
SCHEMBL8550123 0.88 GPBAR1 (0.34) ALDH1A1LMNATP53SMN1; SMN2
SCHEMBL9620371 0.86 ALDH1A1 (0.46) ALDH1A1LMNATP53SMN1; SMN2NPSR1
SCHEMBL8346740 0.84 ALDH1A1 (0.43) ALDH1A1LMNATP53SMN1; SMN2NPSR1
SCHEMBL8546039 0.84 ALDH1A1 (0.43) ALDH1A1LMNATP53SMN1; SMN2NPSR1
SCHEMBL9620447 0.84 ALDH1A1 (0.43) ALDH1A1LMNATP53SMN1; SMN2NPSR1
SCHEMBL8690403 0.82 ALDH1A1 (0.49) ALDH1A1LMNATP53SMN1; SMN2NPSR1
SCHEMBL7968296 0.82 ALDH1A1 (0.40) ALDH1A1LMNATP53SMN1; SMN2NPSR1

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