SCHEMBL7306559

SCHEMBL7306559

N=C(N)c1ccc(C(=O)Nc2ccc3c(c2)C=C(CC(=O)O)CC3)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.55
ITGA2B P08514 13/20 0.55
PLAU P00749 2/20 0.51
MCHR1 Q99705 1/20 0.46
F2 P00734 1/20 0.45
PLG P00747 1/20 0.45
PLAT P00750 1/20 0.45
KLKB1 P03952 1/20 0.45
PRSS1 P07477 1/20 0.45
CYP26A1 O43174 1/20 0.45
CYP26B1 Q9NR63 1/20 0.45
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44
NFKB1 P19838 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL7299057 0.94 ITGB3 (0.54) ITGB3ITGA2BPLAUF2PLG
SCHEMBL7299756 0.92 ITGB3 (0.47) ITGB3ITGA2BPLAUMCHR1CYP26A1
SCHEMBL7301801 0.88 PLAU (0.48) ITGB3ITGA2BPLAUMCHR1F2
SCHEMBL7307859 0.86 CYP26A1 (0.50) PLAUMCHR1PLGPLATKLKB1
SCHEMBL7309377 0.86 PLAU (0.47) ITGB3ITGA2BPLAUMCHR1F2
SCHEMBL7305850 0.83 PLAU (0.47) ITGB3ITGA2BPLAUMCHR1F2
SCHEMBL7308827 0.81 LMNA (0.47) ITGB3ITGA2BPLAUMCHR1F2
SCHEMBL7299794 0.77 ITGB3 (0.56) ITGB3ITGA2BF2PRSS1NPC1
SCHEMBL7430798 0.76 PLAU (0.76) ITGB3ITGA2BPLAUF2PLG
SCHEMBL7298489 0.71 ITGB3 (1.00) ITGB3ITGA2BPLAUMCHR1

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
EP-0709370-B1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI CHEMICALS INC (JP) 1999-01-13 EP disclosed
US-5629321-A FIBRINOGEN ANTAGONIST MITSUI TOATSU CHEMICALS, INC. (JP) 1997-05-13 US disclosed
EP-0709370-A1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-01 EP disclosed