SCHEMBL8919459

SCHEMBL8919459

O=C(O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NS(=O)(=O)c1ccc(S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 9/20 0.63
MMP9 P14780 6/20 0.63
ADAMTS4 O75173 1/20 0.63
ADAMTS5 Q9UNA0 1/20 0.57
ALDH1A1 P00352 1/20 0.57
MAPT P10636 1/20 0.57
MMP1 P03956 1/20 0.57
MMP3 P08254 1/20 0.57
MMP7 P09237 1/20 0.57
MMP13 P45452 1/20 0.57
ITGB3 P05106 1/20 0.56
ITGAV P06756 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
CA2 P00918 1/20 0.55
TDP1 Q9NUW8 1/20 0.54
POLB P06746 1/20 0.54
SLC1A3 P43003 1/20 0.51
SLC1A2 P43004 1/20 0.51

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
SCHEMBL7289803 0.93 ITGB3 (0.59) MMP2MMP9ADAMTS4ADAMTS5ALDH1A1
SCHEMBL26616349 0.93 MMP2 (0.73) MMP2MMP9ADAMTS4ADAMTS5ALDH1A1
SCHEMBL26616346 0.93 MMP2 (0.73) MMP2MMP9ADAMTS4ADAMTS5ALDH1A1
SCHEMBL5189459 0.93 MMP2 (0.73) MMP2MMP9ADAMTS4ADAMTS5ALDH1A1
SCHEMBL8578884 0.87 MMP2 (0.57) MMP2MMP9ADAMTS4ADAMTS5ALDH1A1
SCHEMBL8141491 0.87 TDP1 (0.72) MMP2MMP9ADAMTS4ADAMTS5ALDH1A1
SCHEMBL8141494 0.87 TDP1 (0.72) MMP2MMP9ADAMTS4ADAMTS5ALDH1A1
SCHEMBL7292784 0.85 F2 (0.57) MMP2MMP9ADAMTS4ADAMTS5ALDH1A1
SCHEMBL6799543 0.85 MMP2 (0.55) MMP2MMP9ADAMTS4ADAMTS5ALDH1A1
SCHEMBL6799552 0.85 MMP2 (0.55) MMP2MMP9ADAMTS4ADAMTS5ALDH1A1

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