SCHEMBL755181

SCHEMBL755181

COc1ccc(Cl)cc1S(=O)(=O)N1CCOc2ccc(OC(=O)Nc3ccc(-c4noc(=O)[nH]4)cc3)cc21

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 19/20 0.80
CPT1B Q92523 14/20 0.80
CPT2 P23786 10/20 0.58
MEN1 O00255 1/20 0.54
TP53 P04637 1/20 0.54
MAPT P10636 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL13571342 0.89 CPT1A (0.63) CPT1ACPT1BCPT2
SCHEMBL750198 0.89 CPT1A (1.00) CPT1ACPT1BCPT2
SCHEMBL751568 0.88 CPT1A (0.61) CPT1ACPT1BCPT2MEN1TP53
SCHEMBL751620 0.85 CPT1A (0.76) CPT1ACPT1BCPT2
SCHEMBL753938 0.78 CPT1A (0.65) CPT1ACPT1BCPT2
SCHEMBL30016066 0.77 CPT1A (0.79) CPT1ACPT1BCPT2
SCHEMBL752602 0.76 CPT1A (0.77) CPT1ACPT1BCPT2
SCHEMBL13571823 0.75 CPT1A (0.56) CPT1ACPT1BCPT2
SCHEMBL13571747 0.75 CPT1A (0.68) CPT1ACPT1BCPT2
SCHEMBL754865 0.74 CPT1A (0.77) CPT1ACPT1BCPT2

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-1996563-B1 HETEROBICYCLIC SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2012-03-21 EP claimed