SCHEMBL5071990

SCHEMBL5071990

Cc1ccccc1NC(=O)Nc1ccc(-c2cccn(CCOc3ccc(C(=O)O)cc3)c2=O)cc1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 17/20 0.73
ITGA4 P13612 17/20 0.73
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
RECQL P46063 1/20 0.49
KMT2A Q03164 1/20 0.49
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KDR P35968 1/20 0.44

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
SCHEMBL5071945 0.86 ITGB1 (0.83) ITGB1ITGA4
SCHEMBL5069258 0.84 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL5072077 0.81 ITGB1 (0.79) ITGB1ITGA4MAPTKDM4EMEN1
SCHEMBL5071960 0.78 ITGB1 (0.83) ITGB1ITGA4
SCHEMBL5069261 0.75 ITGB1 (0.75) ITGB1ITGA4
SCHEMBL5072034 0.75 ITGB1 (0.75) ITGB1ITGA4MAPTKDM4EMEN1
SCHEMBL5068926 0.74 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL5066874 0.74 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL6799221 0.74 RAB9A (0.73) ITGB1ITGA4MAPTMEN1RECQL
SCHEMBL5071952 0.73 ITGB1 (0.84) ITGB1ITGA4MAPTMEN1KMT2A

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