SCHEMBL4372182

SCHEMBL4372182

N=C(N)c1cccc(C[C@@H](NS(=O)(=O)c2cc(F)c(Oc3ccc(F)cc3)c(F)c2)C(=O)NO)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.51
ST14 Q9Y5Y6 10/20 0.51
TMPRSS6 Q8IU80 6/20 0.51
F2 P00734 7/20 0.47
PLG P00747 9/20 0.46
PLAU P00749 6/20 0.46
HPN P05981 1/20 0.46

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
SCHEMBL1802359 0.92 MMP2 (0.43) F10ST14TMPRSS6F2PLG
SCHEMBL4373478 0.90 F2 (0.48) F10ST14TMPRSS6F2PLG
SCHEMBL1797575 0.84 MMP2 (0.43) ST14TMPRSS6F2
SCHEMBL14470899 0.78 ADAM17 (0.50)
SCHEMBL1799334 0.78 ADAM17 (0.50)
SCHEMBL1798952 0.75 ADAMTS7 (0.45) F10ST14TMPRSS6PLAUHPN
SCHEMBL1798953 0.75 ADAMTS7 (0.45) F10ST14TMPRSS6PLAUHPN
SCHEMBL1800796 0.75 MMP1 (0.48)
SCHEMBL1800798 0.75 MMP1 (0.48)
SCHEMBL4377255 0.73 MEP1B (0.36) F10ST14TMPRSS6F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1461313-B1 HUMAN ADAM-10 INHIBITORS EXELIXIS INC (US) 2009-08-05 EP claimed
EP-1461313-B1 HUMAN ADAM-10 INHIBITORS EXELIXIS INC (US) 2009-08-05 EP disclosed