SCHEMBL8543403

SCHEMBL8543403

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
GLA P06280 1/20 0.45
TSHR P16473 1/20 0.45
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 3/20 0.39
HTT P42858 1/20 0.39
TP53 P04637 2/20 0.38
HPGD P15428 1/20 0.38
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35

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
SCHEMBL8544475 0.89 ALDH1A1 (0.44) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL8550309 0.88 THRB (0.36) ALDH1A1MAPTTP53HPGDKDM4E
SCHEMBL8551640 0.84 ALDH1A1 (0.44) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL8546039 0.82 ALDH1A1 (0.43) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL8546700 0.81 ALDH1A1 (0.36) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL8550558 0.81 ALDH1A1 (0.41) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL16297176 0.76 ALDH1A1 (0.44) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL12114690 0.74 TSHR (0.42) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL12115143 0.74 TP53 (0.47) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL12114610 0.74 TP53 (0.47) ALDH1A1GLATSHRMEN1KMT2A

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