SCHEMBL8551992

SCHEMBL8551992

C=CCON=CCn1nnn(C(=O)N(c2ccccc2)C(C)C)c1=O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 6/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
TRPM8 Q7Z2W7 2/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL7977970 0.85 ALDH1A1 (0.42) MEN1KMT2AALDH1A1LMNATP53
SCHEMBL8550504 0.80 ALDH1A1 (0.43) MEN1KMT2AALDH1A1LMNATP53
SCHEMBL7968296 0.79 ALDH1A1 (0.40) MEN1KMT2AALDH1A1LMNATP53
SCHEMBL9620371 0.76 ALDH1A1 (0.46) MEN1KMT2AALDH1A1LMNATP53
SCHEMBL8346740 0.74 ALDH1A1 (0.43) MEN1KMT2AALDH1A1LMNATP53
SCHEMBL8546039 0.74 ALDH1A1 (0.43) MEN1KMT2AALDH1A1LMNATP53
SCHEMBL9620447 0.74 ALDH1A1 (0.43) MEN1KMT2AALDH1A1LMNATP53
SCHEMBL8546014 0.73 ALDH1A1 (0.41) MEN1KMT2AALDH1A1LMNATP53
SCHEMBL7986002 0.73 CHRM2 (0.41) MEN1KMT2AALDH1A1LMNATP53
SCHEMBL8690403 0.73 ALDH1A1 (0.49) MEN1KMT2AALDH1A1LMNATP53

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