SCHEMBL4373478

SCHEMBL4373478

N=C(N)c1ccc(C[C@@H](NS(=O)(=O)c2cc(F)c(Oc3ccc(F)cc3)c(F)c2)C(=O)NO)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 0.48
TMPRSS6 Q8IU80 9/20 0.48
ST14 Q9Y5Y6 4/20 0.46
PRSS1 P07477 3/20 0.46
PRSS2 P07478 3/20 0.46
PRSS3 P35030 3/20 0.46
ITGB3 P05106 2/20 0.45
ITGA2B P08514 2/20 0.45
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MRGPRX1 Q96LB2 1/20 0.42
F10 P00742 2/20 0.41
PLG P00747 1/20 0.40
HPN P05981 1/20 0.39

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
SCHEMBL1797575 0.92 MMP2 (0.43) F2TMPRSS6ST14PRSS1PRSS2
SCHEMBL4372182 0.90 F10 (0.51) F2TMPRSS6ST14F10PLG
SCHEMBL1802359 0.84 MMP2 (0.43) F2TMPRSS6ST14MMP2MMP9
SCHEMBL1799334 0.80 ADAM17 (0.50) MMP2MMP9
SCHEMBL14470899 0.80 ADAM17 (0.50) MMP2MMP9
SCHEMBL1800798 0.77 MMP1 (0.48) MMP2MMP9
SCHEMBL1800796 0.77 MMP1 (0.48) MMP2MMP9
SCHEMBL1798953 0.75 ADAMTS7 (0.45) TMPRSS6ST14MMP2MMP9F10
SCHEMBL1798952 0.75 ADAMTS7 (0.45) TMPRSS6ST14MMP2MMP9F10
SCHEMBL4542969 0.74 MMP13 (0.41) MMP2MMP9

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