SCHEMBL4453860

SCHEMBL4453860

CCN(CC)c1ncc(N(C(C)C)S(=O)(=O)c2ccc(Cl)cc2)c(Nc2[c]c(OC(=O)N(C)C)ccc2)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 15/20 0.38
ITGA4 P13612 15/20 0.38
ITGB7 P26010 12/20 0.38
ITGAV P06756 1/20 0.35
PSEN1 P49768 3/20 0.33
PSEN2 P49810 3/20 0.33
APH1B Q8WW43 3/20 0.33
NCSTN Q92542 3/20 0.33
APH1A Q96BI3 3/20 0.33
PSENEN Q9NZ42 3/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL4453759 0.92 ITGB1 (0.41) ITGB1ITGA4ITGB7ITGAVALDH1A1
SCHEMBL4443989 0.84 ITGB1 (0.35) ITGB1ITGA4ITGB7ITGAVLMNA
SCHEMBL2769890 0.83 ITGB1 (0.37) ITGB1ITGA4ITGB7ITGAVPSEN1
SCHEMBL4451903 0.82 ITGB1 (0.36) ITGB1ITGA4ITGB7ITGAVALDH1A1
SCHEMBL4566570 0.81 ITGB1 (0.44) ITGB1ITGA4ITGB7ITGAVALDH1A1
SCHEMBL4448892 0.81 ITGB1 (0.38) ITGB1ITGA4ITGB7ITGAVLMNA
SCHEMBL4458281 0.80 ITGB1 (0.53) ITGB1ITGA4ITGB7ITGAVALDH1A1
SCHEMBL4564578 0.80 ITGB1 (0.40) ITGB1ITGA4ITGB7ITGAVSMN1; SMN2
SCHEMBL4457975 0.79 ITGB1 (0.39) ITGB1ITGA4ITGB7ITGAV
SCHEMBL4458135 0.77 ITGB1 (0.38) 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