SCHEMBL5700960

SCHEMBL5700960

CSc1cc(CC(=O)O)ccc1NC(=O)Nc1ccccc1C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ITGB1 P05556 10/20 0.50
ITGB3 P05106 2/20 0.50
ITGAV P06756 2/20 0.50
ITGA5 P08648 1/20 0.50
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
DDX3X O00571 1/20 0.48
HPGD P15428 1/20 0.48
ITGA4 P13612 9/20 0.47
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.45
NR1H4 Q96RI1 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
SCHEMBL5155328 0.87 ITGB1 (0.57) MEN1KMT2AITGB1ITGB3ITGAV
SCHEMBL5156432 0.82 ITGB1 (0.52) MEN1KMT2AITGB1ITGB3ITGAV
SCHEMBL5156956 0.82 ITGB1 (0.52) MEN1KMT2AITGB1ITGB3ITGAV
SCHEMBL4683165 0.80 ITGA4 (0.67) MEN1KMT2AITGB1ITGB3ITGAV
SCHEMBL5700810 0.80 ITGB1 (0.50) MEN1KMT2AITGB1ITGB3ITGAV
SCHEMBL29612679 0.79 ITGB1 (0.67) MEN1KMT2AITGB1ITGB3ITGAV
SCHEMBL3485567 0.79 ITGB1 (0.67) MEN1KMT2AITGB1ITGB3ITGAV
SCHEMBL5701113 0.78 ITGB1 (0.59) ITGB1ITGA4
SCHEMBL5701121 0.78 ITGB1 (0.59) ITGB1ITGA4
SCHEMBL5700969 0.78 ITGB1 (0.48) MEN1KMT2AITGB1ITGB3ITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027328-B1 SUBSTITUTED ANILIDES AVENTIS PHARMA LTD (GB) 2006-08-23 EP disclosed
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