SCHEMBL1127309

SCHEMBL1127309

C=CCN(C(=O)O)c1cccc(C(=O)C(Br)c2ccnc(Cl)n2)c1F

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL1127066 0.79 KDM4E (0.30)
SCHEMBL31443372 0.76 KMO (0.31)
SCHEMBL1872160 0.75 MEN1 (0.40)
SCHEMBL30586592 0.74 MRGPRX4 (0.31)
SCHEMBL14867706 0.73
SCHEMBL9986802 0.72 MAPK13 (0.38)
SCHEMBL26134642 0.72 MEN1 (0.36)
SCHEMBL30605909 0.72 MEN1 (0.36)
SCHEMBL1127144 0.71 AGTR1 (0.30)
SCHEMBL1127147 0.71 AGTR1 (0.30)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3106462-A1 BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS Novartis AG (CH) 2016-12-21 EP disclosed
US-20160068523-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds NOVARTIS AG (CH) 2016-03-10 US disclosed
US-7994185-B2 Benzene sulfonamide thiazole and oxazole compounds Glaxo Smith Kline LLC (US) 2011-08-09 US disclosed
US-20110172215-A1 Benzene Sulfonamide Thiazole And Oxazole Compounds NOVARTIS AG (CH) 2011-07-14 US disclosed
EP-2282636-A2 BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS GlaxoSmithKline LLC (US) 2011-02-16 EP disclosed