SCHEMBL7300467

SCHEMBL7300467

O=C(O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc2cc3ccccc3cc2c1

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 14/20 0.75
MMP2 P08253 12/20 0.75
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
POLB P06746 1/20 0.71
MMP7 P09237 1/20 0.67
KCNA5 P22460 1/20 0.67
ADAM17 P78536 2/20 0.64

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
SCHEMBL7290418 0.97 MMP9 (0.77) MMP9MMP2MEN1KMT2APOLB
SCHEMBL7290422 0.97 MMP9 (0.77) MMP9MMP2MEN1KMT2APOLB
SCHEMBL7291364 0.92 MMP9 (0.72) MMP9MMP2MEN1KMT2APOLB
SCHEMBL7298534 0.87 MMP9 (0.69) MMP9MMP2MEN1KMT2APOLB
SCHEMBL5191094 0.87 MMP9 (0.89) MMP9MMP2MEN1KMT2APOLB
SCHEMBL6720186 0.87 MMP9 (0.89) MMP9MMP2MEN1KMT2APOLB
SCHEMBL7302324 0.86 MMP2 (0.67) MMP9MMP2MEN1KMT2APOLB
SCHEMBL7302320 0.86 MMP2 (0.67) MMP9MMP2MEN1KMT2APOLB
SCHEMBL7301154 0.86 MMP9 (1.00) MMP9MMP2MEN1KMT2APOLB
SCHEMBL22500283 0.84 MMP9 (0.83) MMP9MMP2MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5763436-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1998-06-09 US disclosed
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