SCHEMBL7426846

SCHEMBL7426846

COc1cc(C(NC(C)=O)C2CCN(CC(=O)O)C2)ccc1NC(=O)Nc1ccccc1C

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 10/20 0.51
ITGA4 P13612 10/20 0.51
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 2/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
GAA P10253 1/20 0.40
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL7425047 0.95 ITGB1 (0.54) ITGB1ITGA4MEN1KMT2AMAPT
SCHEMBL7388792 0.92 ITGB1 (0.46) ITGB1ITGA4MEN1KMT2AMAPT
SCHEMBL7484795 0.90 ITGB1 (0.45) ITGB1ITGA4MEN1KMT2AMAPT
SCHEMBL7394287 0.90 ITGA4 (0.50) ITGB1ITGA4MEN1KMT2AMAPT
SCHEMBL7430020 0.89 ITGB1 (0.49) ITGB1ITGA4MEN1KMT2AMAPT
SCHEMBL7392261 0.88 THRB (0.47) ITGB1ITGA4MEN1KMT2AMAPT
SCHEMBL7390925 0.87 ITGB1 (0.53) ITGB1ITGA4MEN1KMT2AMAPT
SCHEMBL7390959 0.87 ITGB1 (0.44) ITGB1ITGA4MEN1KMT2ALMNA
SCHEMBL7392592 0.87 ITGB1 (0.50) ITGB1ITGA4MEN1KMT2AMAPT
SCHEMBL7383245 0.86 ITGB1 (0.49) ITGB1ITGA4MEN1KMT2AMAPT

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
WO-1999054321-A1 SUBSTITUTED DIAMINES AND THEIR USE AS CELL ADHESION INHIBITORS AVENTIS PHARMA LIMITED (GB) 1999-10-28 WO disclosed