SCHEMBL8545512

SCHEMBL8545512

Cc1ccc(N(C(=O)n2nnn(CC=O)c2=O)C(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.36
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL8551886 0.89 MC4R (0.32) ALDH1A1LMNATP53SMN1; SMN2
SCHEMBL8550123 0.89 GPBAR1 (0.34) ALDH1A1LMNATP53SMN1; SMN2
SCHEMBL8550504 0.89 ALDH1A1 (0.43) TRPM8ALDH1A1LMNATP53SMN1; SMN2
SCHEMBL8551629 0.84 TRPM8 (0.34) TRPM8ALDH1A1LMNATP53SMN1; SMN2
SCHEMBL8550517 0.82 TRPM8 (0.33) TRPM8ALDH1A1LMNATP53SMN1; SMN2
SCHEMBL8550100 0.81 TRPM8 (0.33) TRPM8ALDH1A1
SCHEMBL7977970 0.78 ALDH1A1 (0.42) TRPM8ALDH1A1LMNATP53SMN1; SMN2
SCHEMBL9620371 0.74 ALDH1A1 (0.46) TRPM8ALDH1A1LMNATP53SMN1; SMN2
SCHEMBL8546092 0.73 MC4R (0.34) ALDH1A1
SCHEMBL8546323 0.73 GPBAR1 (0.34) ALDH1A1LMNATP53SMN1; SMN2

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