SCHEMBL948704

SCHEMBL948704

N#Cc1cc([S+]([O-])c2cccc(Br)c2)c([N+](=O)[O-])s1

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
SCHEMBL951552 0.82 MYC (0.31)
SCHEMBL947388 0.80
SCHEMBL5840502 0.72 KMT2A (0.39)
SCHEMBL5840373 0.72 PNP (0.34)
SCHEMBL947376 0.69 VCAM1 (0.37)
SCHEMBL3667921 0.66 ALDH1A1 (0.42)
SCHEMBL10745327 0.66 CUL4A (0.38)
SCHEMBL5982269 0.65 CYP1A2 (0.31)
SCHEMBL8257217 0.64
SCHEMBL29134931 0.62 CHRNA1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868023-B2 Thiophene sulfoximines, compositions thereof, and methods of treating complement-mediated diseases and conditions JANSSEN PHARMACEUTICA NV (BE) 2011-01-11 US disclosed
EP-1863785-B1 NOVEL THIOPHENE SULFOXIMINES FOR TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS JANSSEN PHARMACEUTICA NV (BE) 2009-12-02 EP disclosed
US-20080255108-A1 NOVEL THIOPHENE SULFOXIMINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS SUBASINGHE NALIN L 2008-10-16 US disclosed
US-7385066-B2 Thiophene sulfoximines, compositions thereof, and methods of treating complement-mediated diseases and conditions JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-10 US disclosed
EP-1863785-A1 NOVEL THIOPHENE SULFOXIMINES FOR TREATING CMPLEMENT-MEDIATED DESEASES AND CONDITIONS JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-12 EP disclosed
US-20070066667-A1 Novel thiophene sulfoximines, compositions thereof, and methods treating complement-mediated diseases and conditions JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-22 US disclosed
WO-2006101860-A1 NOVEL THIOPHENE SULFOXIMINES FOR TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS JANSSEN PHARMACEUTICA N.V. (BE) 2006-09-28 WO disclosed