SCHEMBL6945183

SCHEMBL6945183

CCCO[C@@H]1C[C@@H](C(=O)NC)N(S(=O)(=O)c2ccc(Cl)c(CBr)c2Cl)C1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.43
RORC P51449 13/20 0.39
MMP1 P03956 6/20 0.38
MMP3 P08254 6/20 0.38
MMP7 P09237 5/20 0.38
MMP13 P45452 4/20 0.38

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
SCHEMBL6945180 1.00 MMP9 (0.43) MMP9RORCMMP1MMP3MMP7
SCHEMBL7648416 0.93 MMP9 (0.42) MMP9RORC
SCHEMBL7648412 0.93 MMP9 (0.42) MMP9RORC
SCHEMBL6945975 0.89 MMP9 (0.41) MMP9RORC
SCHEMBL6945980 0.89 MMP9 (0.41) MMP9RORC
SCHEMBL6941442 0.89 RORC (0.40) MMP9RORCMMP1MMP3MMP7
SCHEMBL6936907 0.89 RORC (0.40) MMP9RORCMMP1MMP3MMP7
SCHEMBL6936904 0.89 RORC (0.40) MMP9RORCMMP1MMP3MMP7
SCHEMBL6942565 0.87 RORC (0.41) MMP9RORCMMP1MMP3MMP7
SCHEMBL6942563 0.87 RORC (0.41) MMP9RORCMMP1MMP3MMP7

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