SCHEMBL8546014

SCHEMBL8546014

COC(Cn1nnn(C(=O)N(c2ccccc2)C(C)C)c1=O)OC

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
LMNA P02545 3/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
TRPM8 Q7Z2W7 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MLYCD O95822 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ITGA4 P13612 1/20 0.33
ITGB7 P26010 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL8550100 0.89 TRPM8 (0.33) ALDH1A1TRPM8
SCHEMBL8547220 0.88 MC4R (0.35) KMT2A
SCHEMBL8551702 0.88 ALDH1A1 (0.34) ALDH1A1LMNATP53SMN1; SMN2
SCHEMBL8550558 0.85 ALDH1A1 (0.41) ALDH1A1TP53SMN1; SMN2MEN1KMT2A
SCHEMBL9620371 0.84 ALDH1A1 (0.46) ALDH1A1LMNATP53SMN1; SMN2CHRM2
SCHEMBL8346740 0.81 ALDH1A1 (0.43) ALDH1A1LMNATP53SMN1; SMN2CHRM2
SCHEMBL9620447 0.81 ALDH1A1 (0.43) ALDH1A1LMNATP53SMN1; SMN2CHRM2
SCHEMBL8546039 0.81 ALDH1A1 (0.43) ALDH1A1LMNATP53SMN1; SMN2CHRM2
SCHEMBL8690403 0.81 ALDH1A1 (0.49) ALDH1A1LMNATP53SMN1; SMN2CHRM2
SCHEMBL8550504 0.81 ALDH1A1 (0.43) ALDH1A1LMNATP53SMN1; SMN2CHRM2

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