SCHEMBL6937336

SCHEMBL6937336

CCc1cc(S(=O)(=O)c2ccccc2Cl)c([N+](=O)[O-])cc1C(=O)N=C(N)N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
LMNA P02545 3/20 0.44
HTT P42858 2/20 0.44
HPGD P15428 1/20 0.44
SLC9A1 P19634 2/20 0.43
MAPT P10636 2/20 0.42
TNF P01375 1/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
NOD2 Q9HC29 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NOD1 Q9Y239 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.39
F2 P00734 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39

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
SCHEMBL6938965 0.89 SLC9A1 (0.39) SLC9A1POLBF2PRSS1PRSS2
SCHEMBL6932982 0.88 POLB (0.41) SLC9A1POLBF2PRSS1PRSS2
SCHEMBL27373703 0.88 LMNA (0.45) ALDH1A1LMNAHTTHPGDMAPT
SCHEMBL6935337 0.88 SLC9A1 (0.48) ALDH1A1LMNAHTTHPGDSLC9A1
SCHEMBL8538237 0.86 KIF18A (0.44) SLC9A1MEN1KMT2APOLBF2
SCHEMBL6938051 0.85 KIF18A (0.44) ALDH1A1SLC9A1GAAMEN1KMT2A
SCHEMBL6937447 0.85 SLC9A1 (0.39) SLC9A1POLBF2PRSS1PRSS2
SCHEMBL6932987 0.84 MAPT (0.44) ALDH1A1LMNAHTTSLC9A1MAPT
SCHEMBL6935146 0.83 SLC9A1 (0.50) SLC9A1
SCHEMBL7070825 0.82 SLC9A1 (0.42) 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