SCHEMBL5583969

SCHEMBL5583969

CS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)C[C@@H]1O

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 2/20 0.48
ADORA3 P0DMS8 1/20 0.47
P2RY2 P41231 1/20 0.46
P2RY1 P47900 1/20 0.46
P2RY6 Q15077 1/20 0.46
SLC29A1 Q99808 1/20 0.45
TYMP P19971 1/20 0.45

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
SCHEMBL5583981 0.90 ADORA3 (0.46) P2RY12ADORA3P2RY2P2RY1P2RY6
SCHEMBL9650579 0.87 P2RY12 (0.50) P2RY12ADORA3P2RY2P2RY1P2RY6
SCHEMBL9651474 0.87 P2RY12 (0.50) P2RY12ADORA3P2RY2P2RY1P2RY6
SCHEMBL9650582 0.87 P2RY12 (0.50) P2RY12ADORA3P2RY2P2RY1P2RY6
SCHEMBL13374198 0.87 ADORA3 (0.52) P2RY12ADORA3SLC29A1
SCHEMBL25969465 0.87 ADORA3 (0.52) P2RY12ADORA3SLC29A1
SCHEMBL14064199 0.87 ADORA3 (0.52) P2RY12ADORA3SLC29A1
SCHEMBL25504687 0.87 ADORA3 (0.52) P2RY12ADORA3SLC29A1
SCHEMBL25505312 0.87 ADORA3 (0.52) P2RY12ADORA3SLC29A1
SCHEMBL3822223 0.86 P2RY12 (0.48) P2RY12ADORA3P2RY2P2RY1P2RY6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1425417-B1 INTERACTION DETECTION ON SEVERAL PROBE ARRAYS CLONDIAG CHIP TECH GMBH (DE) 2007-10-31 EP disclosed
US-20050147984-A1 Interaction detection on several probe arrays CLONDIAG CHIP TECHNOLOGIES GMBH (DE) 2005-07-07 US disclosed