SCHEMBL8538235

SCHEMBL8538235

CCC(CC)S(=O)(=O)c1cc(C)c(C(=O)Cl)cc1S(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.44
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL8538210 0.89 SLC9A1 (0.44) SLC9A1CA12CA1CA2CA9
SCHEMBL8543032 0.86 SLC9A1 (0.33) SLC9A1
SCHEMBL8536954 0.85 SLC9A1 (0.49) SLC9A1CA12CA1CA2CA9
SCHEMBL6719348 0.84 SLC9A1 (0.57) SLC9A1
SCHEMBL8537830 0.83 SLC9A1 (0.43) SLC9A1CA12CA1CA2CA9
SCHEMBL6938917 0.80 SLC9A1 (0.75) SLC9A1
SCHEMBL8538459 0.80 AKR1C3 (0.33)
SCHEMBL8538227 0.79 PDGFRB (0.36)
SCHEMBL8542373 0.78 SLC9A1 (0.46) SLC9A1
SCHEMBL27371046 0.78 SLC9A1 (0.47) 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
CN-1071743-C Sulfuryl or sulfinyl benzoyl guanidine derivative MERCK PATENT GMBH (DE) 2001-09-26 CN disclosed
US-5744641-A Sulfonyl- or sulfinylbenzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-04-28 US disclosed
CN-1148590-A Sulfuryl or sulfinyl benzoyl guanidine derivative MERCK PATENT GMBH (DE) 1997-04-30 CN disclosed