SCHEMBL4443989

SCHEMBL4443989

CCN(CC)c1ncc(N(C)S(=O)(=O)c2ccc(Cl)c(Cl)c2)c(Nc2[c]c(OC(=O)N(C)C)ccc2)n1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 11/20 0.35
ITGA4 P13612 11/20 0.35
ITGB7 P26010 9/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ITGAV P06756 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.32
TP53 P04637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
PRSS1 P07477 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CDK2 P24941 1/20 0.32
BCL2L1 Q07817 1/20 0.31
MCL1 Q07820 1/20 0.31

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
SCHEMBL4451903 0.89 ITGB1 (0.36) ITGB1ITGA4ITGB7ITGAVALDH1A1
SCHEMBL4564578 0.88 ITGB1 (0.40) ITGB1ITGA4ITGB7MAPTSMN1; SMN2
SCHEMBL4453860 0.84 ITGB1 (0.38) ITGB1ITGA4ITGB7LMNASMN1; SMN2
SCHEMBL4448892 0.83 ITGB1 (0.38) ITGB1ITGA4ITGB7LMNAITGAV
SCHEMBL2814333 0.83 ITGB1 (0.35) ITGB1ITGA4ITGB7MAPTLMNA
SCHEMBL4458135 0.82 ITGB1 (0.38) ITGB1ITGA4ITGB7ITGAV
SCHEMBL4457975 0.81 ITGB1 (0.39) ITGB1ITGA4ITGB7ITGAV
SCHEMBL4453759 0.81 ITGB1 (0.41) ITGB1ITGA4ITGB7ITGAVALDH1A1
SCHEMBL4566570 0.80 ITGB1 (0.44) ITGB1ITGA4ITGB7ITGAVALDH1A1
SCHEMBL4458281 0.79 ITGB1 (0.53) ITGB1ITGA4ITGB7ITGAVALDH1A1

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