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Sugi Predict / Compounds / SCHEMBL6937477

SCHEMBL6937477

SCHEMBL6937477

CCCCCCS(=O)(=O)c1cc(CC)c(C(=O)N=C(N)N)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TXNRD1 Q16881 4/20 0.39
▸ GSR P00390 1/20 0.39
▸ SLC9A1 P19634 2/20 0.38
▸ THRB P10828 1/20 0.37

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
SCHEMBL6938359 0.99 SLC9A1 (0.39) TXNRD1GSRSLC9A1
SCHEMBL6937306 0.96 SLC9A1 (0.39) SLC9A1
SCHEMBL6937498 0.91 SLC9A1 (0.43) SLC9A1
SCHEMBL7073129 0.89 SLC9A1 (0.48) SLC9A1
SCHEMBL7073664 0.89 SLC9A1 (0.35) TXNRD1GSRSLC9A1
SCHEMBL6935243 0.88 SLC9A1 (0.49) SLC9A1
SCHEMBL6935428 0.88 SLC9A1 (0.43) SLC9A1
SCHEMBL6935494 0.85 SLC9A1 (0.50) SLC9A1
SCHEMBL8542821 0.83 TXNRD1 (0.46) TXNRD1GSRTHRB
SCHEMBL6932512 0.83 SLC9A1 (0.49) 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