SCHEMBL14628139

SCHEMBL14628139

C=C(NCC(=O)NCc1ccc(NC(=N)N)cc1)C(CO)NS(=O)(=O)Cc1cccc(N=O)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ F7 P08709 4/20 0.39
▸ F10 P00742 10/20 0.38
▸ F2 P00734 9/20 0.38
▸ TMPRSS11D O60235 5/20 0.37
▸ PLG P00747 3/20 0.37
▸ KLKB1 P03952 1/20 0.34
▸ PROC P04070 1/20 0.34
▸ CA12 O43570 4/20 0.32
▸ CA1 P00915 4/20 0.32
▸ CA2 P00918 4/20 0.32
▸ CA7 P43166 4/20 0.32
▸ PRSS1 P07477 1/20 0.32
▸ PRSS2 P07478 1/20 0.32
▸ PRSS3 P35030 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL14628420 0.79 F10 (0.49) F7F10F2TMPRSS11DPLG
SCHEMBL308289 0.79 F10 (0.49) F7F10F2TMPRSS11DPLG
Hydrochloric Acid SCHEMBL6544352 0.79 F10 (0.49) F7F10F2TMPRSS11DPLG
SCHEMBL14628024 0.76 TMPRSS11D (0.44) F10F2TMPRSS11DPLGPRSS1
SCHEMBL13283064 0.75 CA12 (0.47) F7F10F2TMPRSS11DPLG
SCHEMBL13675001 0.73 CA12 (0.40) F10F2TMPRSS11DPLGCA12
SCHEMBL5494187 0.70 F7 (0.46) F7F10F2TMPRSS11DPLG
SCHEMBL5497165 0.70 F10 (0.42) F10F2TMPRSS11DPLGPRSS1
Hydrochloric Acid SCHEMBL307960 0.70 F7 (0.45) F7F10F2TMPRSS11DPLG
SCHEMBL8344650 0.70 F2 (0.56) F10F2TMPRSS11DPLGKLKB1

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
EP-1453852-B1 SELECTIVE UROKINASE INHIBITORS WILEX AG (DE) 2007-01-17 — — EP disclosed
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