SCHEMBL13508397

SCHEMBL13508397

CCCN(CC(C)O)S(=O)(=O)c1sc2ccccc2c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PER2 O15055 1/20 0.40
HSD11B1 P28845 1/20 0.37
CMA1 P23946 1/20 0.34
CA12 O43570 3/20 0.34
CA9 Q16790 3/20 0.34
CA1 P00915 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC6A9 P48067 2/20 0.34
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KCNA5 P22460 1/20 0.33
PFKFB3 Q16875 1/20 0.32
BACE1 P56817 1/20 0.32
PRNP P04156 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
TP53 P04637 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL14338976 1.00 PER2 (0.40) PER2HSD11B1CMA1CA12CA9
SCHEMBL13508342 0.84 CMA1 (0.46) CMA1NPSR1PFKFB3
SCHEMBL13508348 0.84 PER2 (0.43) PER2CMA1MEN1KMT2A
SCHEMBL13508294 0.84 CMA1 (0.46) CMA1NPSR1PFKFB3
SCHEMBL13508384 0.82 LMNA (0.38) PER2CMA1MEN1KMT2AMAPT
SCHEMBL3686529 0.80 CA2 (0.32) PER2CMA1PFKFB3
SCHEMBL13508387 0.78 PER2 (0.32) PER2CMA1NPSR1
SCHEMBL13508284 0.75 PER2 (0.48) PER2CMA1
SCHEMBL3681157 0.75 PPARD (0.39)
SCHEMBL13508390 0.74 CMA1 (0.37) CMA1CA12CA9CA1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7655641-B2 Sulfonamide derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2010-02-02 US disclosed
US-7655641-B2 Sulfonamide derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2010-02-02 US disclosed