SCHEMBL6938136

SCHEMBL6938136

Cc1cc(Br)c(S(C)(=O)=O)cc1C(=O)Cl

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.44
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 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
SCHEMBL6719348 0.85 SLC9A1 (0.57) SLC9A1
SCHEMBL1763798 0.84 CA12 (0.51) SLC9A1LMNATSHRCA12CA1
SCHEMBL6938080 0.81 SLC9A1 (0.45) SLC9A1
SCHEMBL1763859 0.80 SLC9A1 (0.42) SLC9A1LMNATSHRCA1CA2
SCHEMBL7670684 0.77 GPR27 (0.38) TSHR
SCHEMBL8536954 0.77 SLC9A1 (0.49) SLC9A1CA12CA1CA2CA9
SCHEMBL8663752 0.77 SLC9A1 (0.42) SLC9A1
SCHEMBL8663733 0.77 SLC9A1 (0.42) SLC9A1
SCHEMBL8542825 0.77 SLC9A1 (0.49) SLC9A1
SCHEMBL7800866 0.76 SLC9A1 (0.78) 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 13 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
CN-1071743-C Sulfuryl or sulfinyl benzoyl guanidine derivative MERCK PATENT GMBH (DE) 2001-09-26 CN disclosed
EP-0760365-B1 Alkenyl-benzoylguanidines MERCK PATENT GMBH (DE) 2001-01-03 EP disclosed
CN-1055919-C Arylbenzoylguanidin MERCK PATENT GMBH (DE) 2000-08-30 CN disclosed
EP-0699660-B1 Arylbenzoylguanidines MERCK PATENT GMBH (DE) 1998-10-28 EP disclosed
US-5807896-A Arylbenzoylguanidines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTING (DE) 1998-09-15 US disclosed
US-5744641-A Sulfonyl- or sulfinylbenzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-04-28 US disclosed
US-5731351-A Alkenyl-benzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-03-24 US disclosed
CN-1148590-A Sulfuryl or sulfinyl benzoyl guanidine derivative MERCK PATENT GMBH (DE) 1997-04-30 CN disclosed
EP-0760365-A2 Alkenyl-benzoylguanidines MERCK PATENT GmbH (DE) 1997-03-05 EP disclosed
EP-0758644-A1 Sulfonyl- or sulfinyl-benzoyl-guanidine derivatives MERCK PATENT GmbH (DE) 1997-02-19 EP disclosed
EP-0699660-A2 Arylbenzoylguanidines MERCK PATENT GmbH (DE) 1996-03-06 EP disclosed
CN-1117962-A Arylbenzoylguanidin MERCK PATENT GMBH (DE) 1996-03-06 CN disclosed