SCHEMBL4060858

SCHEMBL4060858

Cc1ccc(S(=O)(=O)n2c(N)cc3ccccc32)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 7/20 0.59
NOD2 Q9HC29 5/20 0.59
GAA P10253 2/20 0.59
CXCL8 P10145 1/20 0.59
ALDH3A1 P30838 2/20 0.55
ALOX5 P09917 1/20 0.54
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CA12 O43570 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
HTT P42858 3/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
POLB P06746 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 2/20 0.47
HTR6 P50406 1/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45

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
SCHEMBL28414053 0.86 NOD1 (0.61) NOD1NOD2GAACXCL8ALDH3A1
SCHEMBL4562545 0.84 NOD1 (0.62) NOD1NOD2CXCL8ALDH1A1SMN1; SMN2
SCHEMBL4065867 0.84 NOD1 (0.62) NOD1NOD2GAACXCL8ALDH3A1
SCHEMBL28205246 0.83 NOD1 (0.59) NOD1NOD2GAACXCL8ALDH3A1
SCHEMBL28417120 0.82 NOD1 (0.55) NOD1NOD2GAACXCL8ALDH3A1
SCHEMBL29531344 0.82 NOD1 (0.57) NOD1NOD2GAACXCL8ALDH3A1
SCHEMBL27929447 0.82 NOD1 (0.57) NOD1NOD2GAACXCL8ALDH3A1
SCHEMBL30285319 0.82 NOD1 (0.61) NOD1NOD2GAACXCL8ALDH3A1
SCHEMBL26632851 0.82 NOD1 (0.57) NOD1NOD2GAACXCL8ALDH3A1
SCHEMBL28145979 0.82 NOD1 (0.57) NOD1NOD2GAACXCL8ALDH3A1

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
WO-2009034581-A1 SUBSTITUTED INDOLYL COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2009-03-19 WO claimed
WO-2009034581-A1 SUBSTITUTED INDOLYL COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2009-03-19 WO disclosed