SCHEMBL8358388

SCHEMBL8358388

N=C(N)c1ccc(CNC(=O)CNC(=O)[C@@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)Cc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 15/20 0.59
▸ TMPRSS6 Q8IU80 7/20 0.59
▸ F10 P00742 6/20 0.57
▸ PLG P00747 4/20 0.57
▸ KLKB1 P03952 2/20 0.57
▸ PROC P04070 1/20 0.57
▸ TMPRSS11D O60235 5/20 0.51
▸ F11 P03951 1/20 0.51
▸ ADRA1B P35368 1/20 0.48
▸ PRSS1 P07477 1/20 0.47

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
SCHEMBL12156653 0.93 F2 (0.61) F2TMPRSS6F10PLGKLKB1
SCHEMBL8346530 0.88 F2 (0.57) F2TMPRSS6F10PLGTMPRSS11D
SCHEMBL8356609 0.88 F2 (0.49) F2TMPRSS6F10PLGKLKB1
SCHEMBL8290804 0.87 F2 (0.52) F2TMPRSS6F10PLGKLKB1
SCHEMBL8344650 0.86 F2 (0.56) F2TMPRSS6F10PLGKLKB1
SCHEMBL8291002 0.86 F10 (0.56) F2TMPRSS6F10PLGKLKB1
SCHEMBL8291001 0.86 F10 (0.56) F2TMPRSS6F10PLGKLKB1
SCHEMBL8289971 0.84 F2 (0.59) F2TMPRSS6F10PLGKLKB1
SCHEMBL12156717 0.84 F2 (0.59) F2TMPRSS6F10PLGKLKB1
SCHEMBL8290737 0.83 F10 (0.53) F2TMPRSS6F10PLGKLKB1

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
WO-2003076457-A1 INHIBITORS OF THE BLOOD-CLOTTING FACTOR Xa, PRODUCTION THEREOF AND USE OF THE SAME CURACYTE AG (DE) 2003-09-18 — — WO disclosed
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