SCHEMBL9058673

SCHEMBL9058673

CC1CNc2c(cccc2S(=O)(=O)N[C@@H](CCCNc2ncc[nH]2)C(=O)N(CC(=O)O)Cc2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.49
PRSS1 P07477 2/20 0.43
F10 P00742 2/20 0.43
LMNA P02545 1/20 0.43
PLAT P00750 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43

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
SCHEMBL9056663 0.92 F2 (0.51) F2PRSS1F10LMNAPLAT
SCHEMBL9058781 0.92 F2 (0.46) F2PRSS1F10LMNAPLAT
SCHEMBL9058654 0.91 F2 (0.50) F2PRSS1F10LMNAPLAT
SCHEMBL9058878 0.90 F2 (0.49) F2PRSS1F10LMNAPLAT
SCHEMBL9055367 0.89 F2 (0.52) F2PRSS1F10LMNAPLAT
SCHEMBL9059021 0.88 F2 (0.51) F2PRSS1F10LMNAPLAT
SCHEMBL9056189 0.87 F2 (0.52) F2PRSS1F10LMNAPLAT
SCHEMBL9059039 0.86 F2 (0.47) F2PRSS1LMNA
SCHEMBL9055049 0.86 F2 (0.51) F2PRSS1F10LMNAPLAT
SCHEMBL9058858 0.86 F2 (0.47) F2PRSS1F10LMNA

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