SCHEMBL4458135

SCHEMBL4458135

CCN(CC)c1ncc(N(C)S(=O)(=O)c2ccc(F)cc2F)c(Nc2[c]c(OC(=O)N(C)C)ccc2)n1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 19/20 0.38
ITGA4 P13612 19/20 0.38
ITGB7 P26010 17/20 0.38
ITGAV P06756 1/20 0.35
PI4KA P42356 1/20 0.32
PIK3CG P48736 1/20 0.32

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
SCHEMBL4564578 0.89 ITGB1 (0.40) ITGB1ITGA4ITGB7ITGAV
SCHEMBL4451903 0.87 ITGB1 (0.36) ITGB1ITGA4ITGB7ITGAV
SCHEMBL4557016 0.85 ITGB1 (0.36) ITGB1ITGA4ITGB7ITGAV
SCHEMBL4457975 0.84 ITGB1 (0.39) ITGB1ITGA4ITGB7ITGAV
SCHEMBL2771648 0.84 ITGB1 (0.36) ITGB1ITGA4ITGB7ITGAVPI4KA
SCHEMBL4453759 0.83 ITGB1 (0.41) ITGB1ITGA4ITGB7ITGAV
SCHEMBL4566570 0.83 ITGB1 (0.44) ITGB1ITGA4ITGB7ITGAV
SCHEMBL4448892 0.83 ITGB1 (0.38) ITGB1ITGA4ITGB7ITGAV
SCHEMBL4443989 0.82 ITGB1 (0.35) ITGB1ITGA4ITGB7ITGAV
SCHEMBL4458281 0.81 ITGB1 (0.53) ITGB1ITGA4ITGB7ITGAV

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