SCHEMBL8308353

SCHEMBL8308353

COc1ccc(C(=N)N2CCC(Oc3ccc(S(=O)(=O)Nc4ccc5c(c4)CN(C(=N)N)CC5)cc3)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.67
PRSS1 P07477 15/20 0.67
PRSS2 P07478 15/20 0.67
PRSS3 P35030 15/20 0.67
F2 P00734 6/20 0.63
TMPRSS2 O15393 1/20 0.53
PLG P00747 9/20 0.51
ALDH1A1 P00352 1/20 0.48
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
TRIM24 O15164 1/20 0.46

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 0.89 F10 (0.61) F10PRSS1PRSS2PRSS3F2
SCHEMBL8311347 0.88 F10 (0.64) F10PRSS1PRSS2PRSS3F2
SCHEMBL8308987 0.87 F10 (0.63) F10PRSS1PRSS2PRSS3F2
SCHEMBL8308177 0.86 F10 (0.64) F10PRSS1PRSS2PRSS3F2
SCHEMBL8308626 0.84 F10 (0.50) F10PRSS1PRSS2PRSS3F2
SCHEMBL8307769 0.84 F10 (0.67) F10PRSS1PRSS2PRSS3F2
SCHEMBL8311996 0.83 F10 (0.65) F10PRSS1PRSS2PRSS3F2
SCHEMBL8312004 0.82 F10 (0.68) F10PRSS1PRSS2PRSS3F2
SCHEMBL8311383 0.82 F10 (0.68) F10PRSS1PRSS2PRSS3F2
SCHEMBL8312401 0.82 F10 (0.65) F10PRSS1PRSS2PRSS3F2

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