SCHEMBL8714864

SCHEMBL8714864

N=C(N)c1ccc2cc(C(=O)Nc3ccc(OCC(=O)O)cc3)[nH]c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.55
ITGA2B P08514 8/20 0.55
PLG P00747 6/20 0.51
PLAU P00749 6/20 0.51
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
KLKB1 P03952 5/20 0.48
PRSS1 P07477 5/20 0.48
F2 P00734 4/20 0.48
PLAT P00750 4/20 0.48
KLK1 P06870 1/20 0.48
EGFR P00533 1/20 0.47
PIK3CA P42336 1/20 0.47
ITGB1 P05556 1/20 0.47
ITGAV P06756 1/20 0.47
ITGB5 P18084 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL8719907 0.86 PLAU (0.48) ITGB3ITGA2BPLGPLAUNPC1
SCHEMBL8716123 0.78 ITGB3 (0.55) ITGB3ITGA2BPLGPLAUNPC1
SCHEMBL8715677 0.77 PLAU (0.48) ITGB3ITGA2BPLGPLAUKLKB1
SCHEMBL8903362 0.76 MEN1 (0.48) ITGB3ITGA2BPLGPLAUKLKB1
SCHEMBL8717795 0.76 F2 (0.57) ITGB3ITGA2BPLGPLAUNPC1
SCHEMBL8713441 0.76 MAPT (0.53) ITGB3ITGA2BPLGPLAUKLKB1
SCHEMBL8770224 0.75 ITGB3 (0.58) ITGB3ITGA2BPLAUNPC1RAB9A
SCHEMBL8770262 0.75 ITGB3 (0.58) ITGB3ITGA2BPLAUNPC1RAB9A
SCHEMBL22192690 0.75 KMT2A (0.72) ITGB3ITGA2BNPC1RAB9ARXFP1
SCHEMBL8713016 0.75 F2 (0.57) ITGB3ITGA2BPLGPLAUKLKB1

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