SCHEMBL6937331

SCHEMBL6937331

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

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 5/20 0.40
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL7070825 0.90 SLC9A1 (0.42) SLC9A1
SCHEMBL8538237 0.90 KIF18A (0.44) SLC9A1
SCHEMBL6932987 0.89 MAPT (0.44) SLC9A1LMNAMAPTALDH1A1
SCHEMBL6932137 0.89 SLC9A1 (0.48) SLC9A1
SCHEMBL27374128 0.88 MAPT (0.37) LMNAMAPTNPSR1ALDH1A1
SCHEMBL6932480 0.87 HSP90AA1 (0.40) SLC9A1
SCHEMBL6932547 0.85 SLC9A1 (0.40) SLC9A1
SCHEMBL6938051 0.85 KIF18A (0.44) SLC9A1ALDH1A1
SCHEMBL6932460 0.85 PLAU (0.39) SLC9A1
SCHEMBL6938965 0.84 SLC9A1 (0.39) 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