SCHEMBL7451012

SCHEMBL7451012

COC(=O)C(=Cc1cccc(C#N)c1)C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.51
CD274 Q9NZQ7 1/20 0.51
P4HB P07237 5/20 0.44
FBP1 P09467 2/20 0.44
GRIN2D O15399 2/20 0.40
GRIN3B O60391 2/20 0.40
GRIN1 Q05586 2/20 0.40
GRIN2A Q12879 2/20 0.40
GRIN2B Q13224 2/20 0.40
GRIN2C Q14957 2/20 0.40
GRIN3A Q8TCU5 2/20 0.40
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39

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
SCHEMBL7451004 1.00 PDCD1 (0.51) PDCD1CD274P4HBFBP1GRIN2D
SCHEMBL6947906 0.85 PDCD1 (0.54) PDCD1CD274P4HBFBP1GRIN2D
SCHEMBL6947909 0.85 PDCD1 (0.54) PDCD1CD274P4HBFBP1GRIN2D
SCHEMBL27863405 0.84 PDCD1 (0.49) PDCD1CD274P4HBFBP1GRIN2D
SCHEMBL13431366 0.79 MEN1 (0.51)
SCHEMBL3227832 0.79 MEN1 (0.51)
SCHEMBL3227838 0.79 MEN1 (0.51)
SCHEMBL21457643 0.79 PDCD1 (0.74) PDCD1CD274P4HBFBP1
SCHEMBL21457640 0.79 PDCD1 (0.74) PDCD1CD274P4HBFBP1
SCHEMBL28493759 0.79 PDCD1 (0.55) PDCD1CD274P4HBFBP1GRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6399627-B1 ANTICOAGULANTS; PROTHROMINASE, SERINE PROTEASE INHIBITOR; ACRYLAMIDE DERIVATIVES COR THERAPEUTICS, INC. 2002-06-04 US disclosed
EP-1189879-A1 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2002-03-27 EP disclosed
EP-1159264-A2 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2001-12-05 EP disclosed
WO-2000071512-A1 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2000-11-30 WO disclosed
WO-2000047554-A2 INHIBITORS OF FACTOR Xa COR THERAPEUTICS INC. (US) 2000-08-17 WO disclosed