SCHEMBL8028868

SCHEMBL8028868

O=S(=O)(O)c1cc2cccc(S(=O)(=O)O)c2cc1S(=O)(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.52
ATIC P31939 2/20 0.47
FABP4 P15090 1/20 0.46
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
MAPK14 Q16539 1/20 0.46
NR4A1 P22736 1/20 0.45
CYP1A2 P05177 4/20 0.44
CASP6 P55212 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HIF1A Q16665 2/20 0.40
CHAT P28329 1/20 0.39
SNCA P37840 1/20 0.39
CTRB1 P17538 1/20 0.39
TNNI3 P19429 1/20 0.39

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
SCHEMBL686665 0.91 TTR (0.55) TTRATICFABP4CCNA2CDK2
SCHEMBL5146252 0.89 TTR (0.53) TTRATICFABP4CCNA2CDK2
SCHEMBL29987260 0.89 TTR (0.53) TTRATICFABP4CCNA2CDK2
SCHEMBL686854 0.89 TTR (0.53) TTRATICFABP4CCNA2CDK2
SCHEMBL7890129 0.88 TTR (0.48) TTRATICFABP4CCNA2CDK2
SCHEMBL31255668 0.88 TTR (0.48) TTRATICFABP4CCNA2CDK2
SCHEMBL5442629 0.88 TTR (0.48) TTRATICFABP4CCNA2CDK2
SCHEMBL5146164 0.87 TTR (0.52) TTRATICFABP4CCNA2CDK2
SCHEMBL2900536 0.87 TTR (0.52) TTRATICFABP4CCNA2CDK2
SCHEMBL14672474 0.86 TTR (0.47) TTRATICFABP4CCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0820284-B1 BIOLOGICALLY ACTIVE UREIDO DERIVATIVES USEFUL IN THE TREATMENT OF MULTIPLE SCLEROSIS PHARMACIA & UPJOHN SPA (IT) 2000-02-02 EP claimed
EP-0820284-A1 BIOLOGICALLY ACTIVE UREIDO DERIVATIVES USEFUL IN THE TREATMENT OF MULTIPLE SCLEROSIS PHARMACIA & UPJOHN S.p.A. (IT) 1998-01-28 EP claimed
WO-1997028796-A1 BIOLOGICALLY ACTIVE UREIDO DERIVATIVES USEFUL IN THE TREATMENT OF MULTIPLE SCLEROSIS PHARMACIA & UPJOHN S.P.A. (IT) 1997-08-14 WO claimed
CN-104238267-A Coloring combination for color filter and color filter TOYO INK SC HOLDINGS CO LTD 2014-12-24 CN disclosed
EP-0820284-A1 BIOLOGICALLY ACTIVE UREIDO DERIVATIVES USEFUL IN THE TREATMENT OF MULTIPLE SCLEROSIS PHARMACIA & UPJOHN S.p.A. (IT) 1998-01-28 EP disclosed
WO-1997028796-A1 BIOLOGICALLY ACTIVE UREIDO DERIVATIVES USEFUL IN THE TREATMENT OF MULTIPLE SCLEROSIS PHARMACIA & UPJOHN S.P.A. (IT) 1997-08-14 WO disclosed