SCHEMBL6932982

SCHEMBL6932982

CCc1cc(S(=O)(=O)c2ccccc2Br)c([N+](=O)[O-])cc1C(=O)N=C(N)N

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
SLC9A1 P19634 2/20 0.39
F2 P00734 2/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
NPY1R P25929 1/20 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
SCHEMBL8543342 0.91 PDE7A (0.41) POLBSLC9A1
SCHEMBL6938965 0.89 SLC9A1 (0.39) POLBSLC9A1F2PRSS1PRSS2
SCHEMBL6937336 0.88 ALDH1A1 (0.44) POLBSLC9A1F2PRSS1PRSS2
SCHEMBL6937321 0.88 SLC9A1 (0.48) POLBSLC9A1
SCHEMBL27353899 0.88 POLB (0.42) POLBF2PRSS1PRSS2PRSS3
SCHEMBL8538237 0.86 KIF18A (0.44) POLBSLC9A1F2PRSS1PRSS2
SCHEMBL6932460 0.85 PLAU (0.39) SLC9A1
SCHEMBL6937447 0.85 SLC9A1 (0.39) POLBSLC9A1F2PRSS1PRSS2
SCHEMBL6934419 0.83 SLC9A1 (0.50) SLC9A1
SCHEMBL7070825 0.82 SLC9A1 (0.42) SLC9A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0758644-B1 Sulfonyl- or sulfinyl-benzoyl-guanidine derivatives MERCK PATENT GMBH (DE) 2003-10-15 EP disclosed
EP-0758644-A1 Sulfonyl- or sulfinyl-benzoyl-guanidine derivatives MERCK PATENT GmbH (DE) 1997-02-19 EP disclosed