SCHEMBL6933356

SCHEMBL6933356

Cc1cc(S(=O)(=O)c2cccc(Cl)c2)c([N+](=O)[O-])cc1C(=O)N=C(N)N

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
HTT P42858 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
SLC9A1 P19634 2/20 0.46
KIF18A Q8NI77 1/20 0.45
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TNF P01375 1/20 0.43
MAPK1 P28482 1/20 0.43
NOD2 Q9HC29 1/20 0.43
NOD1 Q9Y239 1/20 0.43

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
SCHEMBL6932137 0.90 SLC9A1 (0.48) SLC9A1
SCHEMBL6935453 0.89 SLC9A1 (0.50) SLC9A1KIF18A
SCHEMBL6932550 0.88 SLC9A1 (0.51) SLC9A1KIF18A
SCHEMBL6932987 0.88 MAPT (0.44) MAPTHTTSMN1; SMN2SLC9A1KIF18A
SCHEMBL27355044 0.88 MAPT (0.49) MAPTHTTSMN1; SMN2KIF18ALMNA
SCHEMBL6936292 0.85 SLC9A1 (0.44) SLC9A1
SCHEMBL6936197 0.85 SLC9A1 (0.52) SLC9A1
SCHEMBL6935337 0.83 SLC9A1 (0.48) MAPTHTTSLC9A1LMNAPKM
SCHEMBL6937014 0.83 SLC9A1 (0.50) SLC9A1
SCHEMBL6936736 0.83 SLC9A1 (0.67) 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