SCHEMBL13508348

SCHEMBL13508348

CCCN(CC(C)O)S(=O)(=O)c1sc2ccc(F)cc2c1C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PER2 O15055 8/20 0.43
CRY1 Q16526 8/20 0.43
CRY2 Q49AN0 8/20 0.43
CMA1 P23946 6/20 0.42
PFKFB4 Q16877 1/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
CRHR1 P34998 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HTR7 P34969 1/20 0.34
HTR6 P50406 1/20 0.34

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
SCHEMBL13508284 0.91 PER2 (0.48) PER2CRY1CRY2CMA1PFKFB4
SCHEMBL13508342 0.87 CMA1 (0.46) CMA1PFKFB4HTR6
SCHEMBL13508294 0.87 CMA1 (0.46) CMA1PFKFB4HTR6
SCHEMBL13508384 0.86 LMNA (0.38) PER2CRY1CRY2CMA1PFKFB4
SCHEMBL14338976 0.84 PER2 (0.40) PER2CMA1MEN1KMT2A
SCHEMBL13508397 0.84 PER2 (0.40) PER2CMA1MEN1KMT2A
SCHEMBL13508387 0.83 PER2 (0.32) PER2CRY1CRY2CMA1HTR6
SCHEMBL3686285 0.81 CMA1 (0.36) PER2CRY1CRY2CMA1PFKFB4
SCHEMBL5173377 0.81 CMA1 (0.36) PER2CRY1CRY2CMA1MEN1
SCHEMBL13509407 0.81 CMA1 (0.35) PER2CRY1CRY2CMA1PFKFB4

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
EP-1597248-B1 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS LILLY CO ELI (US) 2007-12-26 EP disclosed