SCHEMBL5256342

SCHEMBL5256342

NC(=O)c1ccc[c]c1Sc1ccc(C=CC(=O)N2CCOCC2)c(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 20/20 0.62
ICAM1 P05362 20/20 0.62
ITGAL P20701 20/20 0.62

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
SCHEMBL5449287 0.86 ITGB2 (0.69) ITGB2ICAM1ITGAL
SCHEMBL7646849 0.83 ITGB2 (0.74) ITGB2ICAM1ITGAL
SCHEMBL5256346 0.81 ITGB2 (0.60) ITGB2ICAM1ITGAL
SCHEMBL5303915 0.80 ITGB2 (0.65) ITGB2ICAM1ITGAL
SCHEMBL5196362 0.79 ITGB2 (0.72) ITGB2ICAM1ITGAL
SCHEMBL5195705 0.79 ITGB2 (0.80) ITGB2ICAM1ITGAL
SCHEMBL4895830 0.78 ITGB2 (0.71) ITGB2ICAM1ITGAL
SCHEMBL7642426 0.78 ITGB2 (0.71) ITGB2ICAM1ITGAL
SCHEMBL14066354 0.76 ITGB2 (1.00) ITGB2ICAM1ITGAL
SCHEMBL4893722 0.76 ITGB2 (1.00) ITGB2ICAM1ITGAL

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-1740565-A2 ARYLPHENYLAMINO-, ARYLPHENYLAMIDE-, AND ARYLPHENYLETHER-SUFIDE DERIVATIVES ICOS Corporation (US) 2007-01-10 EP disclosed
WO-2005105770-A2 ARYLPHENYLAMINO-, ARYLPHENYLAMIDE-, AND ARYLPHENYLETHER-SULFIDE DERIVATIVES ICOS CORPORATION (US) 2005-11-10 WO disclosed