SCHEMBL15080624

SCHEMBL15080624

C/N=C(\N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccc(CN)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 12/20 0.42
▸ F2 P00734 11/20 0.42
▸ TMPRSS11D O60235 4/20 0.39
▸ PLG P00747 3/20 0.39
▸ PRSS1 P07477 3/20 0.39
▸ PRSS2 P07478 1/20 0.39
▸ PRSS3 P35030 1/20 0.39
▸ TPSAB1 Q15661 4/20 0.39
▸ TPSD1 Q9BZJ3 1/20 0.39
▸ TPSG1 Q9NRR2 1/20 0.39
▸ CA12 O43570 2/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA7 P43166 2/20 0.38
▸ TMPRSS2 O15393 1/20 0.35

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
SCHEMBL13049548 0.87 F10 (0.43) F10F2TMPRSS11DPLGPRSS1
SCHEMBL8345195 0.87 F2 (0.49) F10F2TMPRSS11DPLGPRSS1
SCHEMBL8346530 0.80 F2 (0.57) F10F2TMPRSS11DPLGPRSS1
SCHEMBL8345186 0.80 F2 (0.51) F10F2TMPRSS11DPLGPRSS1
SCHEMBL13456454 0.77 F10 (0.54) F10F2TMPRSS11DPLGPRSS1
SCHEMBL8353843 0.76 F2 (0.43) F10F2TMPRSS11DPLGPRSS1
SCHEMBL12156659 0.76 F10 (0.50) F10F2PLGPRSS1PRSS2
SCHEMBL8344650 0.75 F2 (0.56) F10F2TMPRSS11DPLGPRSS1
SCHEMBL8356609 0.75 F2 (0.49) F10F2TMPRSS11DPLGPRSS1
SCHEMBL14628420 0.74 F10 (0.49) F10F2TMPRSS11DPLGPRSS1

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
US-8476306-B2 Urokinase inhibitors, production and use thereof THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2013-07-02 — — US disclosed
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