SCHEMBL8540569

SCHEMBL8540569

CCc1cc(S(=O)(=O)C(C)C)c(S(C)(=O)=O)cc1C(=O)Cl

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SLC9A1 P19634 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL8538752 0.91 SLC9A1 (0.39) SLC9A1
SCHEMBL8542625 0.88 SLC9A1 (0.33) SLC9A1
SCHEMBL8543032 0.88 SLC9A1 (0.33) SLC9A1
SCHEMBL8541274 0.86 SLC9A1 (0.31) SLC9A1
SCHEMBL8542805 0.84 SLC9A1 (0.36) SLC9A1
SCHEMBL8543457 0.82 SLC9A1 (0.34) SLC9A1
SCHEMBL8536954 0.81 SLC9A1 (0.49) SLC9A1
SCHEMBL8543229 0.81 CNR1 (0.37) SLC9A1KDM4E
SCHEMBL8542335 0.80 EGLN1 (0.37) GAAALDH1A1KDM4E
SCHEMBL8540482 0.79 PDK1 (0.39) GAAALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5744641-A Sulfonyl- or sulfinylbenzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-04-28 US disclosed