SCHEMBL8713016

SCHEMBL8713016

N=C(N)c1ccc2sc(C(=O)Nc3ccc(OCC(=O)O)cc3)cc2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.57
TPSAB1 Q15661 1/20 0.57
TPSD1 Q9BZJ3 1/20 0.57
TPSG1 Q9NRR2 1/20 0.57
ITGB3 P05106 3/20 0.55
ITGA2B P08514 3/20 0.55
HDAC1 Q13547 2/20 0.50
PLAU P00749 9/20 0.48
PLG P00747 5/20 0.48
KLKB1 P03952 5/20 0.48
PRSS1 P07477 5/20 0.48
PLAT P00750 5/20 0.48
KLK1 P06870 1/20 0.48
ITGB1 P05556 1/20 0.47
ITGAV P06756 1/20 0.47
ITGB5 P18084 1/20 0.47
MAPK9 P45984 1/20 0.45
MAPK14 Q16539 1/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL8715677 0.92 PLAU (0.48) F2TPSAB1TPSD1TPSG1ITGB3
SCHEMBL8714165 0.86 F2 (0.52) F2TPSAB1TPSD1TPSG1ITGB3
SCHEMBL8718412 0.79 PLAU (0.44) F2TPSAB1TPSD1TPSG1HDAC1
SCHEMBL8717795 0.78 F2 (0.57) F2TPSAB1TPSD1TPSG1ITGB3
SCHEMBL8903828 0.76 MEN1 (0.48) F2ITGB3ITGA2BPLAUPLG
SCHEMBL8716123 0.76 ITGB3 (0.55) F2TPSAB1TPSD1TPSG1ITGB3
SCHEMBL8714864 0.75 ITGB3 (0.55) F2ITGB3ITGA2BPLAUPLG
SCHEMBL8903362 0.74 MEN1 (0.48) F2ITGB3ITGA2BPLAUPLG
SCHEMBL7336793 0.74 PTPN7 (0.61) F2ITGB3ITGA2BPLAUPLG
SCHEMBL13709555 0.74 HDAC1 (0.74) F2ITGB3ITGA2BHDAC1PLAU

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