SCHEMBL7301801

SCHEMBL7301801

COC(=O)CC1=Cc2cc(NC(=O)c3ccc(C(=N)N)cc3)ccc2CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLAU P00749 3/20 0.48
ITGB3 P05106 8/20 0.48
ITGA2B P08514 8/20 0.48
MCHR1 Q99705 4/20 0.46
TMPRSS2 O15393 2/20 0.45
PLG P00747 2/20 0.43
F2 P00734 1/20 0.43
PLAT P00750 1/20 0.43
KLKB1 P03952 1/20 0.43
PRSS1 P07477 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL7305850 0.95 PLAU (0.47) PLAUITGB3ITGA2BMCHR1TMPRSS2
SCHEMBL7309377 0.92 PLAU (0.47) PLAUITGB3ITGA2BMCHR1TMPRSS2
SCHEMBL7306559 0.88 ITGB3 (0.55) PLAUITGB3ITGA2BMCHR1PLG
SCHEMBL7308827 0.87 LMNA (0.47) PLAUITGB3ITGA2BMCHR1TMPRSS2
SCHEMBL7299057 0.83 ITGB3 (0.54) PLAUITGB3ITGA2BPLGF2
SCHEMBL7299756 0.81 ITGB3 (0.47) PLAUITGB3ITGA2BMCHR1TMPRSS2
SCHEMBL7310496 0.81 NPC1 (0.49) ITGB3ITGA2BF2PRSS1NPC1
SCHEMBL7307859 0.75 CYP26A1 (0.50) PLAUMCHR1PLGPLATKLKB1
SCHEMBL7430798 0.74 PLAU (0.76) PLAUITGB3ITGA2BTMPRSS2PLG
SCHEMBL7300601 0.73 ITGB3 (0.73) PLAUITGB3ITGA2BTMPRSS2

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