SCHEMBL4566698

SCHEMBL4566698

CCN(CC)c1ncc(NCCS(=O)(=O)c2cc(Cl)cc(Cl)c2)c(Nc2[c]c(OC(=O)N(C)C)ccc2)n1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 12/20 0.35
ITGA4 P13612 12/20 0.35
ITGB7 P26010 10/20 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
SCHEMBL4557016 0.85 ITGB1 (0.36) ITGB1ITGA4ITGB7
SCHEMBL2789301 0.78 ITGB1 (0.58) ITGB1ITGA4ITGB7
SCHEMBL4443989 0.77 ITGB1 (0.35) ITGB1ITGA4ITGB7
SCHEMBL4196190 0.77 ITGB1 (0.36) ITGB1ITGA4ITGB7
SCHEMBL4453860 0.76 ITGB1 (0.38) ITGB1ITGA4ITGB7
SCHEMBL4451903 0.75 ITGB1 (0.36) ITGB1ITGA4ITGB7
SCHEMBL4195563 0.74 ITGB1 (0.35) ITGB1ITGA4ITGB7
SCHEMBL4564578 0.74 ITGB1 (0.40) ITGB1ITGA4ITGB7
SCHEMBL4448892 0.74 ITGB1 (0.38) ITGB1ITGA4ITGB7
SCHEMBL4457975 0.74 ITGB1 (0.39) ITGB1ITGA4ITGB7

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-1635822-A4 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARM INC (US) 2009-06-24 EP disclosed
EP-1635822-A2 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS Elan Pharmaceuticals, Inc. (US) 2006-03-22 EP disclosed
WO-2005000246-A2 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARMACEUTICALS, INC. (US) 2005-01-06 WO disclosed