SCHEMBL7305850

SCHEMBL7305850

COC(=O)CC1=Cc2cc(C(=O)Nc3ccc(C(=N)N)cc3)ccc2CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 7/20 0.47
ITGB3 P05106 5/20 0.47
ITGA2B P08514 5/20 0.47
PLG P00747 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
F2 P00734 4/20 0.44
KLKB1 P03952 4/20 0.44
PRSS1 P07477 4/20 0.44
PLAT P00750 4/20 0.44
TMPRSS2 O15393 1/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
MCHR1 Q99705 1/20 0.43
F10 P00742 1/20 0.43
KLK1 P06870 1/20 0.43
KLK5 Q9Y337 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL7301801 0.95 PLAU (0.48) PLAUITGB3ITGA2BPLGSMN1; SMN2
SCHEMBL7308827 0.92 LMNA (0.47) PLAUITGB3ITGA2BPLGSMN1; SMN2
SCHEMBL7299057 0.88 ITGB3 (0.54) PLAUITGB3ITGA2BPLGF2
SCHEMBL7309377 0.87 PLAU (0.47) PLAUITGB3ITGA2BSMN1; SMN2NPC1
SCHEMBL7306559 0.83 ITGB3 (0.55) PLAUITGB3ITGA2BPLGSMN1; SMN2
SCHEMBL7310496 0.80 NPC1 (0.49) ITGB3ITGA2BSMN1; SMN2NPC1RAB9A
SCHEMBL7299756 0.78 ITGB3 (0.47) PLAUITGB3ITGA2BSMN1; SMN2NPC1
SCHEMBL7306968 0.72 ITGB3 (0.70) PLAUITGB3ITGA2BMCHR1
SCHEMBL7305935 0.72 MTNR1A (0.43) NPC1RAB9AMAPTMCHR1KDM4E
SCHEMBL7430798 0.71 PLAU (0.76) PLAUITGB3ITGA2BPLGSMN1; SMN2

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