Sugi Predict

Sugi Predict / Compounds / SCHEMBL6932460

SCHEMBL6932460

SCHEMBL6932460

CCc1cc(S(=O)(=O)c2ccc(Br)cc2)c([N+](=O)[O-])cc1C(=O)N=C(N)N

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 1/20 0.39
▸ SLC9A1 P19634 2/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 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
SCHEMBL7070825 0.90 SLC9A1 (0.42) SLC9A1
SCHEMBL8538237 0.90 KIF18A (0.44) SLC9A1MEN1KMT2A
SCHEMBL6938051 0.89 KIF18A (0.44) SLC9A1MEN1KMT2A
SCHEMBL27355052 0.87 KMT2A (0.38) MEN1KMT2A
SCHEMBL6937014 0.87 SLC9A1 (0.50) SLC9A1
SCHEMBL6937615 0.87 HPD (0.37) SLC9A1
SCHEMBL6932982 0.85 POLB (0.41) SLC9A1
SCHEMBL6937331 0.85 SLC9A1 (0.40) SLC9A1
SCHEMBL6932987 0.84 MAPT (0.44) SLC9A1
SCHEMBL6933420 0.84 SLC9A1 (0.51) 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