SCHEMBL7039396

SCHEMBL7039396

CCCS(=O)(=O)NCCCCCCCCCCNS(=O)(=O)CCC

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RELA Q04206 4/20 0.55
PPARA Q07869 4/20 0.52
CA1 P00915 5/20 0.48
CA2 P00918 5/20 0.48
CA12 O43570 2/20 0.48
CA7 P43166 2/20 0.48
CA14 Q9ULX7 2/20 0.48
EPHX1 P07099 1/20 0.47
GRIA1 P42261 3/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CA9 Q16790 1/20 0.40

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
SCHEMBL7109328 1.00 RELA (0.55) RELAPPARACA1CA2CA12
SCHEMBL7042054 1.00 RELA (0.55) RELAPPARACA1CA2CA12
SCHEMBL28469962 0.95 RELA (0.61) RELAPPARACA1CA2CA12
SCHEMBL7688181 0.95 RELA (0.61) RELAPPARACA1CA2CA12
SCHEMBL11754427 0.93 RELA (0.59) RELAPPARACA1CA2CA12
SCHEMBL1753871 0.93 RELA (0.58) RELAPPARACA1CA2CA12
SCHEMBL5689484 0.90 CA1 (0.61) RELAPPARACA1CA2CA12
SCHEMBL7685651 0.86 RELA (0.71) RELAPPARACA1CA2CA12
SCHEMBL7694320 0.86 RELA (0.71) RELAPPARACA1CA2CA12
SCHEMBL9609767 0.86 RELA (0.71) RELAPPARACA1CA2CA12

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
EP-1292571-A2 (BIS)SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2003-03-19 EP claimed
WO-2001094306-A2 (BIS)SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-12-13 WO claimed