SCHEMBL6936878

SCHEMBL6936878

CCc1cc(S(=O)(=O)c2cccc(C(F)(F)F)c2)c(C(F)(F)F)cc1C(=O)N=C(N)N

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 5/20 0.41
HTR6 P50406 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38

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
SCHEMBL6932226 0.90 SLC9A1 (0.40) SLC9A1
SCHEMBL6936937 0.89 SLC9A1 (0.40) SLC9A1
SCHEMBL6935267 0.89 SLC9A1 (0.46) SLC9A1
SCHEMBL6938031 0.89 SLC9A1 (0.42) SLC9A1
SCHEMBL7073340 0.89 HSD11B1 (0.40) SLC9A1
SCHEMBL6934481 0.88 SLC9A1 (0.48) SLC9A1
SCHEMBL6932480 0.85 HSP90AA1 (0.40) SLC9A1MMP1MMP2MMP9MMP8
SCHEMBL6936925 0.84 SLC9A1 (0.42) SLC9A1
SCHEMBL6934853 0.83 PLAU (0.39) SLC9A1
SCHEMBL6932213 0.83 FLT1 (0.39)

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