SCHEMBL5710485

SCHEMBL5710485

CCCCS(=O)(=O)NCCOC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 4/20 0.44
ALDH1A1 P00352 6/20 0.41
LMNA P02545 5/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA12 O43570 2/20 0.40
CA14 Q9ULX7 2/20 0.40
CA7 P43166 1/20 0.40
HTT P42858 3/20 0.38
CCR4 P51679 1/20 0.37
ALOX15 P16050 1/20 0.37
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL24654070 0.84 CA2 (0.50) RELAALDH1A1HPGDCA1CA2
SCHEMBL1829856 0.83 RELA (0.48) RELAALDH1A1HPGDMAPTCA1
SCHEMBL608990 0.81 CA1 (0.61) RELAALDH1A1LMNAHPGDNPC1
SCHEMBL5689488 0.81 CA1 (0.52) RELAALDH1A1LMNAHPGDKDM4E
SCHEMBL13103768 0.81 ALDH1A1 (0.47) ALDH1A1LMNAHPGDKDM4ENPC1
SCHEMBL7687552 0.79 RELA (0.62) RELAALDH1A1CA1CA2CA12
SCHEMBL27256366 0.77 CA2 (0.37) RELAALDH1A1LMNAHPGDKDM4E
SCHEMBL10596044 0.77 RELA (0.66) RELACA1CA2CA12CA14
SCHEMBL7688965 0.77 RELA (0.66) RELACA1CA2CA12CA14
SCHEMBL10924903 0.77 RELA (0.66) RELACA1CA2CA12CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100455565-C Sulfonamide anions as catalysts for nco oligomerization BAYER MATERIALSCIENCE AG (DE) 2009-01-28 CN disclosed
EP-1654324-B1 SULPHONAMIDE ANIONS AS CATALYSTS FOR NCO OLIGOMERISATION BAYER MATERIALSCIENCE AG (DE) 2006-12-27 EP disclosed
CN-1833003-A Sulfonamide anions as catalysts for nco oligomerization BAYER MATERIALSCIENCE AG (DE) 2006-09-13 CN disclosed
US-7060817-B2 Sulfonamide anions as catalysts for NCO oligomerization BAYER MATERIALSCIENCE AG (DE) 2006-06-13 US disclosed
US-20050033005-A1 Sulfonamide anions as catalysts for NCO oligomerization BAYER MATERIALSCIENCE AG (DE) 2005-02-10 US disclosed