SCHEMBL9056174

SCHEMBL9056174

Cc1cnc2c(S(=O)(=O)N[C@@H](CCC(N)c3ncc[nH]3)C(=O)N3CC[C@@H](C)C[C@H]3C)cccc2c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.41
F10 P00742 3/20 0.39
PRSS1 P07477 2/20 0.39
LMNA P02545 1/20 0.39
PLAT P00750 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
CCR10 P46092 1/20 0.38
PLAU P00749 1/20 0.38
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL9054483 0.80 F2 (0.44) F2F10PRSS1LMNAPLAT
SCHEMBL9065342 0.77 CCR10 (0.58) F2F10CCR10PLAU
SCHEMBL9056601 0.77 SLC16A3 (0.34) F2
SCHEMBL9055609 0.77 ITGB3 (0.36) F2F10PRSS1LMNAPLAT
SCHEMBL7309906 0.76 F2 (0.46) F2F10CCR10PLAUMAPT
SCHEMBL7309913 0.76 F2 (0.46) F2F10CCR10PLAUMAPT
SCHEMBL9056442 0.76 CCR10 (0.44) F2F10CCR10PLAUMAPT
SCHEMBL9054934 0.76 F2 (0.46) F2F10PRSS1LMNAPLAT
SCHEMBL9055315 0.76 F2 (0.41) F2F10PRSS1LMNAPLAT
SCHEMBL9055310 0.76 F2 (0.40) F2F10PRSS1LMNAPLAT

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
WO-1996002517-A1 SUBSTITUTED ARYLSULFONAMIDES, THEIR PREPARATION AND USE AS THROMBIN-INHIBITING MEDICAMENTS DR. KARL THOMAE GMBH (DE) 1996-02-01 WO disclosed