SCHEMBL12514168

SCHEMBL12514168

CCCCS(=O)(=O)N[C@H](CO)C(=O)NCC(=O)NCc1ccc(C(=N)N)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 6/20 0.48
▸ ITGA2B P08514 6/20 0.48
▸ TMPRSS6 Q8IU80 4/20 0.44
▸ F7 P08709 2/20 0.44
▸ F2 P00734 7/20 0.42
▸ F10 P00742 4/20 0.42
▸ TMPRSS11D O60235 3/20 0.42
▸ PLG P00747 3/20 0.42
▸ TMPRSS2 O15393 2/20 0.41
▸ ST14 Q9Y5Y6 1/20 0.41
▸ PROC P04070 1/20 0.40
▸ PLAU P00749 1/20 0.40
▸ HPN P05981 1/20 0.40
▸ MRGPRX1 Q96LB2 1/20 0.40

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
SCHEMBL12514173 0.86 TMPRSS6 (0.48) TMPRSS6F7F2F10ST14
SCHEMBL12514664 0.85 F2 (0.48) ITGB3ITGA2BF7F2
SCHEMBL8345186 0.83 F2 (0.51) TMPRSS6F2F10TMPRSS11DPLG
SCHEMBL8346530 0.83 F2 (0.57) TMPRSS6F2F10TMPRSS11DPLG
SCHEMBL8345195 0.83 F2 (0.49) TMPRSS6F7F2F10TMPRSS11D
SCHEMBL12513998 0.83 F10 (0.40) ITGB3ITGA2BF2F10PLG
SCHEMBL8344650 0.79 F2 (0.56) TMPRSS6F2F10TMPRSS11DPLG
SCHEMBL5502070 0.78 ITGB3 (0.41) ITGB3ITGA2BF7F2F10
Hydrochloric Acid SCHEMBL6544381 0.77 ITGB3 (0.40) ITGB3ITGA2BF7F2F10
SCHEMBL12514559 0.77 F2 (0.54) F2F10TMPRSS11DPLG

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-1808440-B1 Non-covalent inhibitors of urokinase and blood vessel formation WILEX AG (DE) 2011-07-27 — — EP disclosed
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