SCHEMBL6937447

SCHEMBL6937447

CCc1cc(S(=O)(=O)c2ccccc2C(F)(F)F)c([N+](=O)[O-])cc1C(=O)N=C(N)N

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.39
POLB P06746 1/20 0.37
F2 P00734 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
HSD11B1 P28845 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
SCHEMBL6932106 0.88 SLC9A1 (0.46) SLC9A1POLB
SCHEMBL6932510 0.87 SLC9A1 (0.43) SLC9A1HSD11B1
SCHEMBL6938965 0.86 SLC9A1 (0.39) SLC9A1POLBF2PRSS1PRSS2
SCHEMBL6932982 0.85 POLB (0.41) SLC9A1POLBF2PRSS1PRSS2
SCHEMBL6937336 0.85 ALDH1A1 (0.44) SLC9A1POLBF2PRSS1PRSS2
SCHEMBL6937615 0.84 HPD (0.37) SLC9A1HSD11B1
SCHEMBL6935486 0.84 SLC9A1 (0.47) SLC9A1
SCHEMBL8538237 0.84 KIF18A (0.44) SLC9A1POLBF2PRSS1PRSS2
SCHEMBL6932480 0.83 HSP90AA1 (0.40) SLC9A1
SCHEMBL7070825 0.80 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 3 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
US-5744641-A Sulfonyl- or sulfinylbenzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-04-28 US disclosed
EP-0758644-A1 Sulfonyl- or sulfinyl-benzoyl-guanidine derivatives MERCK PATENT GmbH (DE) 1997-02-19 EP disclosed