SCHEMBL8308987

SCHEMBL8308987

N=C(N)N1CCc2ccc(NS(=O)(=O)c3ccc(O[C@H]4CCN(C(=N)N)C4)cc3)cc2C1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.63
PRSS1 P07477 18/20 0.63
PRSS2 P07478 18/20 0.63
PRSS3 P35030 18/20 0.63
PLG P00747 12/20 0.58
F2 P00734 4/20 0.58

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
Hydrochloric Acid SCHEMBL8312274 0.94 F10 (0.61) F10PRSS1PRSS2PRSS3PLG
SCHEMBL8311347 0.91 F10 (0.64) F10PRSS1PRSS2PRSS3PLG
SCHEMBL8308177 0.89 F10 (0.64) F10PRSS1PRSS2PRSS3PLG
SCHEMBL8308353 0.87 F10 (0.67) F10PRSS1PRSS2PRSS3PLG
SCHEMBL8308626 0.85 F10 (0.50) F10PRSS1PRSS2PRSS3PLG
SCHEMBL8314110 0.85 F10 (0.49) F10PRSS1PRSS2PRSS3PLG
SCHEMBL8311618 0.75 F10 (0.61) F10PRSS1PRSS2PRSS3PLG
SCHEMBL7390506 0.74 F10 (0.68) F10PRSS1PRSS2PRSS3PLG
SCHEMBL8311074 0.74 F10 (0.60) F10PRSS1PRSS2PRSS3PLG
SCHEMBL8311609 0.74 F10 (0.60) F10PRSS1PRSS2PRSS3PLG

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-0937723-A1 Novel sulfonamides, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1999-08-25 EP disclosed