SCHEMBL13049548

SCHEMBL13049548

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 10/20 0.43
▸ F2 P00734 10/20 0.43
▸ TPSAB1 Q15661 4/20 0.41
▸ PRSS1 P07477 3/20 0.41
▸ TPSD1 Q9BZJ3 1/20 0.41
▸ TPSG1 Q9NRR2 1/20 0.41
▸ PRSS2 P07478 1/20 0.40
▸ PRSS3 P35030 1/20 0.40
▸ TMPRSS11D O60235 2/20 0.39
▸ PLG P00747 1/20 0.39
▸ CA1 P00915 3/20 0.37
▸ CA2 P00918 3/20 0.37
▸ CA12 O43570 2/20 0.37
▸ CA7 P43166 2/20 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
SCHEMBL8345195 0.90 F2 (0.49) F10F2PRSS1TMPRSS11DPLG
SCHEMBL15080624 0.87 F10 (0.42) F10F2TPSAB1PRSS1TPSD1
SCHEMBL8346530 0.82 F2 (0.57) F10F2PRSS1TMPRSS11DPLG
SCHEMBL8345186 0.82 F2 (0.51) F10F2PRSS1TMPRSS11DPLG
SCHEMBL13456454 0.79 F10 (0.54) F10F2PRSS1PRSS2PRSS3
SCHEMBL8344650 0.78 F2 (0.56) F10F2PRSS1TMPRSS11DPLG
SCHEMBL8353843 0.77 F2 (0.43) F10F2PRSS1TMPRSS11DPLG
SCHEMBL14628420 0.77 F10 (0.49) F10F2PRSS1PRSS2PRSS3
SCHEMBL308289 0.77 F10 (0.49) F10F2PRSS1PRSS2PRSS3
SCHEMBL13283064 0.76 CA12 (0.47) F10F2PRSS1PRSS2PRSS3

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-7838560-B2 for the therapy, prophylaxis and diagnosis of a tumor; benzylsulfonyl-D-Ser-Glu-4-amidinobenzylamidexTFA THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2010-11-23 — — US disclosed
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