SCHEMBL26487698

SCHEMBL26487698

NCNC(=O)CC(=O)NCN

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 3/20 0.42
ECE1 P42892 1/20 0.35
GLRA1 P23415 1/20 0.33
SLC6A9 P48067 1/20 0.33
OR51E2 Q9H255 1/20 0.33
PRSS1 P07477 1/20 0.31
ST14 Q9Y5Y6 1/20 0.30

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
SCHEMBL278473 0.91 TPSAB1 (0.38) TPSAB1ECE1
SCHEMBL14094896 0.86 MCL1 (0.37) TPSAB1
SCHEMBL24427061 0.84
SCHEMBL14678917 0.84
SCHEMBL13904209 0.84 TPSAB1 (0.34) TPSAB1ECE1
SCHEMBL8187940 0.83
SCHEMBL13904207 0.82
SCHEMBL13155701 0.82 TPSAB1 (0.33) TPSAB1
SCHEMBL13155696 0.80 TPSAB1 (0.32) TPSAB1
SCHEMBL14094895 0.80 ALDH1A1 (0.42) TPSAB1

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-20230137116-A1 COMPOSITIONS AND THEIR APPLICATIONS BASF SE (DE) 2023-05-04 US disclosed