SCHEMBL6932987

SCHEMBL6932987

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
HTT P42858 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.43
PKM P14618 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KIF18A Q8NI77 1/20 0.43
SLC9A1 P19634 3/20 0.42
TNF P01375 1/20 0.40
MAPK1 P28482 1/20 0.40
NOD2 Q9HC29 1/20 0.40
NOD1 Q9Y239 1/20 0.40
NPY1R P25929 1/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 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
SCHEMBL6938051 0.90 KIF18A (0.44) KIF18ASLC9A1ALDH1A1
SCHEMBL6937331 0.89 SLC9A1 (0.40) MAPTLMNASLC9A1ALDH1A1
SCHEMBL8538237 0.89 KIF18A (0.44) KIF18ASLC9A1
SCHEMBL6933356 0.88 MAPT (0.48) MAPTHTTSMN1; SMN2LMNAPKM
SCHEMBL27373704 0.88 MAPT (0.46) MAPTHTTSMN1; SMN2LMNAPKM
SCHEMBL6932480 0.86 HSP90AA1 (0.40) SLC9A1
SCHEMBL7070825 0.85 SLC9A1 (0.42) SLC9A1
SCHEMBL6937336 0.84 ALDH1A1 (0.44) MAPTHTTLMNAPKMTDP1
SCHEMBL6937879 0.84 SLC9A1 (0.48) SLC9A1
SCHEMBL6932460 0.84 PLAU (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