SCHEMBL16672121

SCHEMBL16672121

CC(=O)NC(C)C(C)NC(C)=S

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.39
ALDH1A1 P00352 2/20 0.37
TAS2R38 P59533 1/20 0.35
NFKB1 P19838 3/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
NFKB2 Q00653 1/20 0.33
KMT2A Q03164 1/20 0.33
RELA Q04206 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
PTGS2 P35354 1/20 0.33
THPO P40225 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA2 P00918 1/20 0.32
PTGS1 P23219 1/20 0.32
MMP12 P39900 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
SCHEMBL14157901 0.86 TRPV1 (0.46) TRPV1ALDH1A1NFKB1MAPTKDM4E
SCHEMBL7883493 0.75
SCHEMBL7100921 0.75
SCHEMBL12512687 0.75
SCHEMBL13810443 0.75
SCHEMBL10404259 0.74
SCHEMBL16384476 0.72
SCHEMBL228531 0.72
SCHEMBL9812919 0.72
SCHEMBL16246015 0.72 ALDH1A1 (0.36) TRPV1ALDH1A1TAS2R38NFKB1MAPT

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
US-9017943-B2 Methods and compositions related to nucleic acid binding assays NUBAD LLC (US) 2015-04-28 US disclosed