SCHEMBL8919686

SCHEMBL8919686

CC(=O)OC(=NC[C@@H]1CCCN(C(=N)N)C1)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NS(=O)(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 0.54
F10 P00742 5/20 0.44
PLG P00747 4/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
ST14 Q9Y5Y6 4/20 0.39
PLAU P00749 3/20 0.39
IL2RA P01589 1/20 0.38
ALB P02768 1/20 0.38
IL2 P60568 1/20 0.38

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
SCHEMBL7302675 0.84 F2 (0.75) F2
Acetic Acid SCHEMBL8919662 0.84 F2 (0.72) F2
SCHEMBL8918410 0.81 F2 (0.53) F2ST14PLAUIL2RAALB
Acetic Acid SCHEMBL8579129 0.80 F2 (0.52) F2F10PLGALDH1A1MAPT
SCHEMBL7290829 0.74 F2 (0.78) F2
SCHEMBL7290808 0.74 F2 (0.78) F2
SCHEMBL7300871 0.74 F2 (0.47) F2F10ALDH1A1MAPT
Sulfurous Acid SCHEMBL8922012 0.72 F2 (0.74) F2
SCHEMBL8578919 0.72 F2 (0.70) F2
SCHEMBL8918553 0.71 F2 (0.71) F2IL2RAALBIL2

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 5 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
US-5260307-A Inhibit thrombin-induced platlet aggregation and clotting of fibrogen in plasma HOFMANN-LA ROCHE INC. (US) 1993-11-09 US disclosed