SCHEMBL6935152

SCHEMBL6935152

CCc1cc(S(=O)(=O)C2CCCCCC2)c([N+](=O)[O-])cc1C(=O)N=C(N)N

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36

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
SCHEMBL6938152 1.00 SLC9A1 (0.38) SLC9A1CA12CA1CA2CA3
SCHEMBL6937664 0.99 SLC9A1 (0.38) SLC9A1
SCHEMBL6932474 0.97 SLC9A1 (0.38) SLC9A1
SCHEMBL6937443 0.95 SLC9A1 (0.39) SLC9A1
SCHEMBL6934953 0.87 SLC9A1 (0.49) SLC9A1
SCHEMBL27528085 0.87 TXNRD1 (0.35) CA12CA1CA2CA3CA4
SCHEMBL6936182 0.87 SLC9A1 (0.49) SLC9A1
SCHEMBL6938035 0.86 SLC9A1 (0.50) SLC9A1
SCHEMBL27355048 0.86 TXNRD1 (0.36) CA12CA1CA2CA3CA4
SCHEMBL6935106 0.86 SLC9A1 (0.36) 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