SCHEMBL2345451

SCHEMBL2345451

COC(=O)CC(N)CCSC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.45
ENPEP Q07075 1/20 0.45
RNPEP Q9H4A4 1/20 0.38
METAP2 P50579 1/20 0.38
METAP1 P53582 1/20 0.38
SLC1A1 P43005 1/20 0.35
TSHR P16473 3/20 0.34
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
MME P08473 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 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
SCHEMBL2589071 0.79 TSHR (0.48) SLC1A1TSHRALDH1A1KMT2AHSD17B10
SCHEMBL1256549 0.78 ANPEP (0.50) ANPEPENPEPRNPEPMETAP2METAP1
SCHEMBL13254782 0.78 ANPEP (0.50) ANPEPENPEPRNPEPMETAP2METAP1
SCHEMBL16187037 0.78 ANPEP (0.50) ANPEPENPEPRNPEPMETAP2METAP1
SCHEMBL289172 0.78 ANPEP (0.50) ANPEPENPEPRNPEPMETAP2METAP1
SCHEMBL1294434 0.78 ALDH1A1 (0.41) METAP1SLC1A1TSHRALDH1A1HSD17B10
SCHEMBL12534353 0.78 TSHR (0.50) ANPEPENPEPSLC1A1TSHRALDH1A1
SCHEMBL13260397 0.77 RNPEP (0.38) RNPEPMETAP2METAP1TSHRALDH1A1
Hydrochloric Acid SCHEMBL6783166 0.77 TSHR (0.46) SLC1A1TSHRALDH1A1KMT2AHSD17B10
Hydrochloric Acid SCHEMBL1294433 0.76 ALDH1A1 (0.40) SLC1A1TSHRALDH1A1L3MBTL1KMT2A

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-2011099832-A2 NOVEL BENZIMIDAZOLE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CRYSTALGENOMICS, INC. (KR) 2011-08-18 WO disclosed