SCHEMBL7300170

SCHEMBL7300170

O=C(O)C(Cc1cccc([N+](=O)[O-])c1)NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
MMP2 P08253 8/20 0.54
MMP9 P14780 6/20 0.54
ADAMTS4 O75173 2/20 0.54
F2 P00734 2/20 0.51
PLG P00747 2/20 0.50
F10 P00742 2/20 0.50
ITGB3 P05106 1/20 0.50
ITGAV P06756 1/20 0.50
MMP13 P45452 2/20 0.49
HPN P05981 1/20 0.49
HGFAC Q04756 1/20 0.49
ST14 Q9Y5Y6 1/20 0.49
PLAU P00749 1/20 0.49
ADAMTS5 Q9UNA0 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
MMP1 P03956 1/20 0.49
MMP3 P08254 1/20 0.49
MMP7 P09237 1/20 0.49

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
SCHEMBL7300164 1.00 POLB (0.55) POLBMMP2MMP9ADAMTS4F2
SCHEMBL8955960 0.92 F2 (0.49) MMP2F2PLGF10HPN
Hydrochloric Acid SCHEMBL8578699 0.90 PLG (0.52) F2PLGF10HPNPLAU
SCHEMBL7292784 0.89 F2 (0.57) POLBMMP2MMP9ADAMTS4F2
SCHEMBL3310154 0.86 MMP2 (0.71) POLBMMP2MMP9ADAMTS4F2
SCHEMBL7290941 0.86 MMP2 (0.71) POLBMMP2MMP9ADAMTS4F2
SCHEMBL31086814 0.86 MMP2 (0.71) POLBMMP2MMP9ADAMTS4F2
SCHEMBL5189194 0.86 MMP2 (0.71) POLBMMP2MMP9ADAMTS4F2
SCHEMBL9664214 0.84 POLB (0.58) POLBMMP2MMP9ADAMTS4F2
SCHEMBL9665229 0.84 F2 (0.64) POLBMMP2MMP9ADAMTS4F2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5595999-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1997-01-21 US disclosed
US-5583133-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1996-12-10 US disclosed
US-5532232-A INHIBIT THROMBIN INDUCED PLATELET AGGREGATION; FIBRINOGEN ANTICOAGULANTS IN BLOOD HOFFMANN-LA ROCHE INC. (US) 1996-07-02 US disclosed
US-5393760-A Cardiovascular disorders, antitumor agents HOFFMANN-LA ROCHE INC. (US) 1995-02-28 US disclosed
EP-0468231-B1 Guanidins HOFFMANN LA ROCHE (CH) 1994-09-21 EP disclosed
US-5260307-A Inhibit thrombin-induced platlet aggregation and clotting of fibrogen in plasma HOFMANN-LA ROCHE INC. (US) 1993-11-09 US disclosed
EP-0468231-A2 Guanidins F. HOFFMANN-LA ROCHE AG (CH) 1992-01-29 EP disclosed