SCHEMBL8972528

SCHEMBL8972528

N=C(N)N1CCOC(CNC(=O)C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCOCC2)C1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 18/20 0.78
ST14 Q9Y5Y6 2/20 0.50
PLG P00747 2/20 0.50
PLAU P00749 2/20 0.50
F10 P00742 1/20 0.50
HPN P05981 1/20 0.48
HGFAC Q04756 1/20 0.48

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
Hydrochloric Acid SCHEMBL7300512 0.99 F2 (0.79) F2ST14PLGPLAUF10
Hydrochloric Acid SCHEMBL8577409 0.99 F2 (0.79) F2ST14PLGPLAUF10
SCHEMBL8993252 0.88 F2 (1.00) F2
SCHEMBL8993254 0.88 F2 (1.00) F2
Trifluoroacetic Acid SCHEMBL7298748 0.84 F2 (0.91) F2
SCHEMBL7304313 0.82 F2 (0.55) F2
SCHEMBL7291476 0.81 F2 (1.00) F2
SCHEMBL7291804 0.81 F2 (1.00) F2
SCHEMBL8972431 0.81 F2 (0.54) F2
SCHEMBL8972449 0.81 F2 (0.54) F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5583133-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1996-12-10 US claimed