SCHEMBL5072077

SCHEMBL5072077

Cc1ccccc1NC(=O)Nc1ccc(-c2cccn(Cc3ccc(OCC(=O)O)cc3)c2=O)cc1

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 19/20 0.79
ITGA4 P13612 19/20 0.79
KDM4E B2RXH2 1/20 0.61
MEN1 O00255 1/20 0.61
MAPT P10636 1/20 0.61
RECQL P46063 1/20 0.61
KMT2A Q03164 1/20 0.61

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
SCHEMBL5072034 0.91 ITGB1 (0.75) ITGB1ITGA4KDM4EMEN1MAPT
SCHEMBL5068926 0.86 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL5066874 0.86 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL5069258 0.86 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL5070946 0.84 ITGB1 (0.79) ITGB1ITGA4
SCHEMBL5066817 0.83 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL5066820 0.83 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL5069285 0.83 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL5066854 0.83 ITGB1 (0.83) ITGB1ITGA4
SCHEMBL5071952 0.82 ITGB1 (0.84) ITGB1ITGA4MEN1MAPTKMT2A

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