SCHEMBL5072034

SCHEMBL5072034

Cc1ccccc1NC(=O)Nc1ccc(-c2cccn(Cc3cccc(OCC(=O)O)c3)c2=O)cc1

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 17/20 0.75
ITGA4 P13612 17/20 0.75
MEN1 O00255 2/20 0.62
MAPT P10636 2/20 0.62
KMT2A Q03164 2/20 0.62
PTGER3 P43115 1/20 0.54
KDM4E B2RXH2 1/20 0.54
RECQL P46063 1/20 0.54

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
SCHEMBL5072077 0.91 ITGB1 (0.79) ITGB1ITGA4MEN1MAPTKMT2A
SCHEMBL5071952 0.87 ITGB1 (0.84) ITGB1ITGA4MEN1MAPTKMT2A
SCHEMBL5070985 0.85 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL5070952 0.83 ITGB1 (0.75) ITGB1ITGA4MEN1MAPTKMT2A
SCHEMBL5068938 0.83 ITGB1 (0.83) ITGB1ITGA4
SCHEMBL5068926 0.81 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL5066874 0.81 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL5069258 0.81 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL5070946 0.79 ITGB1 (0.79) ITGB1ITGA4
SCHEMBL5069261 0.79 ITGB1 (0.75) ITGB1ITGA4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7410984-B2 Compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-08-12 US claimed