SCHEMBL14628024

SCHEMBL14628024

C=C(NCC(=O)NCc1ccc(NC(=N)N)cc1)C(CNC(=O)OCc1ccccc1)NS(=O)(=O)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS11D O60235 3/20 0.44
▸ PRSS1 P07477 3/20 0.42
▸ TPSAB1 Q15661 2/20 0.42
▸ TPSD1 Q9BZJ3 1/20 0.42
▸ TPSG1 Q9NRR2 1/20 0.42
▸ ITGB3 P05106 3/20 0.41
▸ ITGAV P06756 3/20 0.41
▸ PLAU P00749 1/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ RCOR1 Q9UKL0 1/20 0.39
▸ F2 P00734 6/20 0.39
▸ F10 P00742 4/20 0.39
▸ PLG P00747 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ PRSS2 P07478 1/20 0.37
▸ PRSS3 P35030 1/20 0.37

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) TMPRSS11DPRSS1F2F10PLG
SCHEMBL308289 0.79 F10 (0.49) TMPRSS11DPRSS1F2F10PLG
Hydrochloric Acid SCHEMBL6544352 0.79 F10 (0.49) TMPRSS11DPRSS1F2F10PLG
SCHEMBL14628139 0.76 F7 (0.39) TMPRSS11DPRSS1F2F10PLG
SCHEMBL5497165 0.72 F10 (0.42) TMPRSS11DPRSS1F2F10PLG
SCHEMBL13283064 0.71 CA12 (0.47) TMPRSS11DPRSS1F2F10PLG
SCHEMBL13675001 0.71 CA12 (0.40) TMPRSS11DPRSS1F2F10PLG
SCHEMBL12514665 0.69 F2 (0.46) TMPRSS11DPLAUF2F10PLG
SCHEMBL8149664 0.68 PRSS1 (0.73) PRSS1TPSAB1TPSD1TPSG1PLAU
SCHEMBL8346530 0.68 F2 (0.57) TMPRSS11DPRSS1F2F10PLG

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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