SCHEMBL6932480

SCHEMBL6932480

CCc1cc(S(=O)(=O)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])cc1C(=O)N=C(N)N

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.40
CXCR5 P32302 1/20 0.40
APLNR P35414 1/20 0.40
CCR6 P51684 1/20 0.40
SLC9A1 P19634 3/20 0.38
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 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
SCHEMBL6937615 0.91 HPD (0.37) SLC9A1
SCHEMBL6936292 0.89 SLC9A1 (0.44) HSP90AA1CXCR5APLNRCCR6SLC9A1
SCHEMBL6937331 0.87 SLC9A1 (0.40) SLC9A1
SCHEMBL8538237 0.86 KIF18A (0.44) SLC9A1
SCHEMBL6932987 0.86 MAPT (0.44) SLC9A1
SCHEMBL6936878 0.85 SLC9A1 (0.41) SLC9A1MMP1MMP2MMP9MMP8
SCHEMBL6935267 0.85 SLC9A1 (0.46) SLC9A1
SCHEMBL6937447 0.83 SLC9A1 (0.39) SLC9A1
SCHEMBL7070825 0.82 SLC9A1 (0.42) SLC9A1
SCHEMBL6938051 0.81 KIF18A (0.44) 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