SCHEMBL6942563

SCHEMBL6942563

CNC(=O)C1CC(OC(C)(C)C)CN1S(=O)(=O)c1ccc(Cl)c(CBr)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RORC P51449 17/20 0.41
MMP9 P14780 1/20 0.38
BDKRB2 P30411 1/20 0.35
BDKRB1 P46663 1/20 0.35
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP7 P09237 1/20 0.33
MMP13 P45452 1/20 0.33

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
SCHEMBL6942565 1.00 RORC (0.41) RORCMMP9BDKRB2BDKRB1MMP1
SCHEMBL6941442 0.90 RORC (0.40) RORCMMP9BDKRB2BDKRB1MMP1
SCHEMBL6936904 0.90 RORC (0.40) RORCMMP9BDKRB2BDKRB1MMP1
SCHEMBL6936907 0.90 RORC (0.40) RORCMMP9BDKRB2BDKRB1MMP1
SCHEMBL7648412 0.89 MMP9 (0.42) RORCMMP9BDKRB2BDKRB1
SCHEMBL7648416 0.89 MMP9 (0.42) RORCMMP9BDKRB2BDKRB1
SCHEMBL6945975 0.87 MMP9 (0.41) RORCMMP9BDKRB2BDKRB1
SCHEMBL6945183 0.87 MMP9 (0.43) RORCMMP9MMP1MMP3MMP7
SCHEMBL6945180 0.87 MMP9 (0.43) RORCMMP9MMP1MMP3MMP7
SCHEMBL6945980 0.87 MMP9 (0.41) RORCMMP9BDKRB2BDKRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1155013-B1 HETEROCYCLIC BENZENESULPHONAMIDE COMPOUNDS AS BRADYKININE ANTAGONISTS FOURNIER IND & SANTE (FR) 2003-07-23 EP disclosed
US-6479515-B1 FOR THE TREATMENT OF PAIN AND INFLAMMATION, AND ESPECIALLY IN THE TREATMENT OF ASTHMA, CEREBRAL TRAUMATIC SHOCK AND ALLERGIC RHINITIS FOURNIER INDUSTRIE ET SANTE (FR) 2002-11-12 US disclosed