SCHEMBL12514173

SCHEMBL12514173

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS6 Q8IU80 9/20 0.48
▸ F7 P08709 6/20 0.48
▸ F2 P00734 11/20 0.46
▸ ST14 Q9Y5Y6 1/20 0.46
▸ F10 P00742 1/20 0.43
▸ CA12 O43570 2/20 0.43
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA7 P43166 2/20 0.43
▸ F3 P13726 2/20 0.42
▸ PROC P04070 1/20 0.41
▸ ADRA1B P35368 1/20 0.41

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
SCHEMBL12514168 0.86 ITGB3 (0.48) TMPRSS6F7F2ST14F10
SCHEMBL8290770 0.86 F2 (0.53) TMPRSS6F7F2ST14F10
SCHEMBL8346530 0.84 F2 (0.57) TMPRSS6F2F10ADRA1B
SCHEMBL8345186 0.84 F2 (0.51) TMPRSS6F2F10PROCADRA1B
SCHEMBL8345195 0.84 F2 (0.49) TMPRSS6F7F2ST14F10
SCHEMBL24322931 0.80 ST14 (0.52) TMPRSS6F7F2ST14F10
SCHEMBL8344650 0.80 F2 (0.56) TMPRSS6F2F10PROCADRA1B
Hydrochloric Acid SCHEMBL6366354 0.78 F7 (0.44) TMPRSS6F7F2ST14F10
SCHEMBL7118946 0.77 MEN1 (0.53) F7F2F10PROCADRA1B
Hydrochloric Acid SCHEMBL6366518 0.77 F2 (0.54) F7F2F10PROCADRA1B

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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