SCHEMBL7424964

SCHEMBL7424964

COc1cc(CC(=O)Nc2ccc(C(CC(=O)O)NS(=O)(=O)C3CN(C)C=N3)cn2)ccc1NC(=O)Nc1ccccc1C

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 18/20 0.55
ITGB1 P05556 17/20 0.55
CHEK1 O14757 1/20 0.38
ITGB7 P26010 1/20 0.37

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
SCHEMBL7649470 0.91 ITGB1 (0.52) ITGA4ITGB1
SCHEMBL7645875 0.89 ITGA4 (0.49) ITGA4ITGB1ITGB7
SCHEMBL7387358 0.88 ITGA4 (0.62) ITGA4ITGB1CHEK1
SCHEMBL7648766 0.88 ITGA4 (0.56) ITGA4ITGB1
SCHEMBL7425600 0.87 ITGA4 (0.52) ITGA4ITGB1CHEK1
SCHEMBL7424976 0.84 ITGA4 (0.55) ITGA4ITGB1CHEK1
SCHEMBL7588934 0.83 ITGA4 (0.60) ITGA4ITGB1CHEK1
SCHEMBL7420865 0.83 ITGA4 (0.61) ITGA4ITGB1CHEK1
SCHEMBL7561313 0.83 ITGB1 (0.63) ITGA4ITGB1CHEK1ITGB7
SCHEMBL7391722 0.82 ITGB1 (0.57) ITGA4ITGB1

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
US-6479519-B1 INHIBITORS OF CELL ADHESION; TREATMENT OF ASTHMA OR INFLAMMATORY BOWEL DISEASE AVENTIS PHARMA LIMITED (GB) 2002-11-12 US disclosed
EP-1027328-A1 SUBSTITUTED ANILIDES Aventis Pharma Limited (GB) 2000-08-16 EP disclosed
WO-1999023063-A1 SUBSTITUTED ANILIDES AVENTIS PHARMA LIMITED (GB) 1999-05-14 WO disclosed