SCHEMBL6652064

SCHEMBL6652064

Cc1c(C#N)sc(OC(N)=O)c1C

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NOTUM Q6P988 1/20 0.31
ADORA2A P29274 1/20 0.31

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
SCHEMBL5988926 0.72 GAA (1.00) GAAALDH1A1NPSR1L3MBTL1NOTUM
SCHEMBL6653068 0.69 ALDH1A1 (0.32) GAAALDH1A1
SCHEMBL7471882 0.69 GAA (0.33) GAAALDH1A1
Hydrochloric Acid SCHEMBL6652810 0.68 ALDH1A1 (0.31) GAAALDH1A1
SCHEMBL11639797 0.66 GAA (0.58) GAAALDH1A1NPSR1L3MBTL1
SCHEMBL7613937 0.63 GAA (0.50) GAAALDH1A1ADORA2A
SCHEMBL13713776 0.62 GAA (0.48) GAAALDH1A1
SCHEMBL8087600 0.62 GAA (0.34) GAA
SCHEMBL8090562 0.62 GAA (0.34) GAA
Hydrochloric Acid SCHEMBL27576480 0.62 GAA (0.48) GAAALDH1A1

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
EP-0956294-B1 THROMBIN INHIBITORS ABBOTT GMBH & CO KG (DE) 2004-06-09 EP disclosed