SCHEMBL8543229

SCHEMBL8543229

CCCS(=O)(=O)c1cc(CC)c(C(=O)Cl)cc1S(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.37
THRB P10828 4/20 0.36
SLC9A1 P19634 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL8542629 0.92 THRB (0.39) THRBSLC9A1
SCHEMBL8541278 0.90 THRB (0.44) THRB
SCHEMBL8542805 0.89 SLC9A1 (0.36) SLC9A1
SCHEMBL8538752 0.89 SLC9A1 (0.39) SLC9A1
SCHEMBL8542394 0.89 THRB (0.46) THRB
SCHEMBL8542373 0.85 SLC9A1 (0.46) CNR1SLC9A1LMNA
SCHEMBL8540569 0.81 GAA (0.34) SLC9A1KDM4E
SCHEMBL8543457 0.81 SLC9A1 (0.34) SLC9A1
SCHEMBL6934436 0.80 SLC9A1 (0.57) SLC9A1
SCHEMBL8542924 0.79 EGLN1 (0.40) THRBKDM4EKMT2A

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 2 patents. 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
US-5696167-A 4-mercaptobenzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-12-09 US disclosed