SCHEMBL11489488

SCHEMBL11489488

Nc1[c]ccc2cccc(S(=O)(=O)O)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.45
FABP4 P15090 1/20 0.45
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
MAPK14 Q16539 1/20 0.45
NR4A1 P22736 1/20 0.44
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
F2 P00734 3/20 0.35
PRSS1 P07477 3/20 0.35
PRSS2 P07478 3/20 0.35
PRSS3 P35030 3/20 0.35
ATIC P31939 2/20 0.35
PHLPP2 Q6ZVD8 1/20 0.34
CD40 P25942 2/20 0.33
CD40LG P29965 2/20 0.33
SNCA P37840 2/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
CHAT P28329 1/20 0.33

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
SCHEMBL6633176 0.81 TTR (0.50) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL6629829 0.81 TTR (0.46) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL1742117 0.78 TTR (0.59) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL11491211 0.78 SUMO2 (0.48) MAPK1ALDH1A1TSHRHSD17B10TDP1
SCHEMBL29360969 0.77 TTR (0.58) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL179823 0.77 TTR (0.58) TTRFABP4CCNA2CDK2MAPK14
Water SCHEMBL7765550 0.75 TTR (0.56) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL21240726 0.75 TTR (0.56) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL2984538 0.75 TTR (0.56) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL11347041 0.75 TTR (0.61) TTRCDK2AURKAAURKBATIC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0019846-A2 Tanning agents of the azo series, their preparation and their use in the simultaneous tanning and dyeing of leather, and preparations containing them BAYER AG (DE) 1980-12-10 EP disclosed