SCHEMBL21552487

SCHEMBL21552487

CNC(CC(=O)O)c1nccs1

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTSA P10619 20/20 0.47

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
SCHEMBL21552119 0.84 CTSA (0.45) CTSA
SCHEMBL21553864 0.84 CTSA (0.39) CTSA
SCHEMBL21525583 0.78 CTSA (0.50) CTSA
SCHEMBL13075752 0.78 CYP19A1 (0.40)
SCHEMBL2039261 0.75 CTSA (0.48) CTSA
SCHEMBL6207417 0.75 L3MBTL1 (0.55) CTSA
SCHEMBL10585713 0.75 CTSA (0.50) CTSA
SCHEMBL27787271 0.75 ALDH1A1 (0.40) CTSA
SCHEMBL10669573 0.74 CTSA (0.49) CTSA
SCHEMBL2041450 0.73 CTSA (0.46) CTSA

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
WO-2019216742-A1 NOVEL COMPOUND EXHIBITING ENTEROPEPTIDASE INHIBITORY ACTIVITY 주식회사 엘지화학 (KR) 2019-11-14 WO disclosed