SCHEMBL21101788

SCHEMBL21101788

CC(=N)N1CSC[C@@H]1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.37
CNR2 P34972 4/20 0.35
DPP4 P27487 2/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
NPSR1 Q6W5P4 1/20 0.30
PREP P48147 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
SCHEMBL1022056 0.79 ACE (0.40) ACECNR2DPP4DPP8DPP7
SCHEMBL28789465 0.79 ACE (0.40) ACECNR2DPP4DPP8DPP7
SCHEMBL6002706 0.79 ACE (0.40) ACECNR2DPP4DPP8DPP7
SCHEMBL7771045 0.76 TSHR (0.41) ACECNR2DPP4DPP8DPP7
SCHEMBL30811430 0.74 CNR2 (0.38) ACECNR2DPP4DPP8PREP
SCHEMBL31472471 0.74 CNR2 (0.38) ACECNR2DPP4DPP8PREP
SCHEMBL7769272 0.74 GAA (0.42) ACECNR2DPP4PREP
SCHEMBL1021746 0.73 CNR2 (0.37) ACECNR2ALDH1A1PREP
SCHEMBL17282590 0.73 ACE (0.43) ACECNR2DPP4DPP8DPP7
SCHEMBL1021093 0.73 ATM (0.44) ACECNR2HSD17B10PREP

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-2019111225-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF NON‑ALCOHOLIC STEATOHEPATITIS AVALIV THERAPEUTICS (US) 2019-06-13 WO disclosed