SCHEMBL8719907

SCHEMBL8719907

CC(C)(C)OC(=O)COc1ccc(NC(=O)c2cc3ccc(C(=N)N)cc3[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLAU P00749 9/20 0.48
PLG P00747 7/20 0.48
ITGB3 P05106 2/20 0.46
ITGA2B P08514 2/20 0.46
KLKB1 P03952 5/20 0.44
PRSS1 P07477 5/20 0.44
F2 P00734 5/20 0.44
PLAT P00750 5/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
EGFR P00533 2/20 0.43
PIK3CA P42336 2/20 0.43
SCN4A P35499 1/20 0.42
SCN3A Q9NY46 1/20 0.42
F10 P00742 1/20 0.41
KLK1 P06870 1/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL8714864 0.86 ITGB3 (0.55) PLAUPLGITGB3ITGA2BKLKB1
SCHEMBL8715803 0.83 NPC1 (0.48) PLAUPLGKLKB1PRSS1F2
SCHEMBL8715620 0.80 PLAU (0.47) PLAUPLGITGB3ITGA2BKLKB1
SCHEMBL8718412 0.80 PLAU (0.44) PLAUPLGKLKB1PRSS1F2
SCHEMBL8904735 0.79 PLAU (0.44) PLAUPLGKLKB1PRSS1F2
SCHEMBL8714127 0.79 MAPT (0.46) PLAUPLGITGB3ITGA2BKLKB1
SCHEMBL8718615 0.79 TPSAB1 (0.52) PLAUPLGITGB3ITGA2BKLKB1
SCHEMBL8770417 0.78 NPC1 (0.44) PLAUPLGITGB3ITGA2BPRSS1
SCHEMBL8714165 0.78 F2 (0.52) PLAUPLGITGB3ITGA2BKLKB1
SCHEMBL8904785 0.77 PLAU (0.44) PLAUPLGKLKB1PRSS1F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753670-A ANTICOAGULANTS THE GREEN CROSS CORPORATION (JP) 1998-05-19 US disclosed
US-5635527-A ANTAGONIST OF PLATELET MEMBRANE GLYCOPROTEIN; TREATMENT OF THROMBOTIC DISEASES THE GREEN CROSS CORPORATION (JP) 1997-06-03 US disclosed
EP-0712844-A1 NOVEL FUSED-RING CARBOXYLIC ACID COMPOUND OR SALT THEREOF, AND MEDICINAL USE THEREOF THE GREEN CROSS CORPORATION (JP) 1996-05-22 EP disclosed