SCHEMBL5533939

SCHEMBL5533939

CC(=O)c1ccc(NC(=O)ON2CCN(CC3CN(c4ccc(-c5noc(C)n5)cc4)C(=O)O3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.44
ITGB3 P05106 3/20 0.42
ITGA2B P08514 3/20 0.42
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
SIGMAR1 Q99720 10/20 0.40
MAPT P10636 1/20 0.37
MAPK14 Q16539 1/20 0.37

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
SCHEMBL5535948 0.89 CCR2 (0.40) THRBITGB3ITGA2BLMNASIGMAR1
SCHEMBL5530623 0.85 SIGMAR1 (0.45) THRBITGB3ITGA2BSIGMAR1
SCHEMBL5535143 0.85 ITGB3 (0.37) ITGB3ITGA2BLMNASIGMAR1MAPT
SCHEMBL7387348 0.81 MAPT (0.49) LMNAHTTSIGMAR1MAPT
SCHEMBL5530617 0.80 SIGMAR1 (0.45) THRBITGB3ITGA2BSIGMAR1
SCHEMBL7389203 0.79 MAPT (0.47) LMNAMAPT
SCHEMBL7392101 0.78 SIGMAR1 (0.46) ITGB3ITGA2BSIGMAR1MAPT
SCHEMBL7386854 0.78 DGAT1 (0.42) ITGB3ITGA2BLMNASIGMAR1MAPT
SCHEMBL7473955 0.77 MGLL (0.53) ITGB3ITGA2BSIGMAR1
SCHEMBL7387950 0.77 THRB (0.45) THRBITGB3ITGA2BHTTSIGMAR1

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
EP-1416931-B1 INHIBITORS OF POLYQ-AGGREGATION MAX PLANCK GESELLSCHAFT (DE) 2007-06-13 EP claimed