SCHEMBL8028660

SCHEMBL8028660

O=S(=O)(O)c1cccc2c(S(=O)(=O)O)cccc12.[Na].[Na].[Na].[Na]

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.72
CYP1A2 P05177 3/20 0.53
AURKA O14965 1/20 0.50
AURKB Q96GD4 1/20 0.50
CDK2 P24941 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 2/20 0.46
COMT P21964 1/20 0.46
APEX1 P27695 1/20 0.45
MEN1 O00255 1/20 0.45
NSD2 O96028 1/20 0.45
POLB P06746 1/20 0.45
IDE P14735 1/20 0.45
DUSP3 P51452 1/20 0.45
CCR6 P51684 1/20 0.45
BLM P54132 1/20 0.45
KMT2A Q03164 1/20 0.45
ATIC P31939 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALPL P05186 1/20 0.44

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
SCHEMBL305631 1.00 TTR (0.72) TTRCYP1A2AURKAAURKBCDK2
SCHEMBL1502472 1.00 TTR (0.72) TTRCYP1A2AURKAAURKBCDK2
SCHEMBL6242 0.97 TTR (0.75) TTRCYP1A2AURKAAURKBCDK2
SCHEMBL29363198 0.97 TTR (0.75) TTRCYP1A2AURKAAURKBCDK2
SCHEMBL30233642 0.97 TTR (0.75) TTRCYP1A2AURKAAURKBCDK2
Ammonia Solution, Strong SCHEMBL25312340 0.95 TTR (0.72) TTRCYP1A2AURKAAURKBCDK2
Ammonia Solution, Strong SCHEMBL10954121 0.95 TTR (0.72) TTRCYP1A2AURKAAURKBCDK2
Lithium SCHEMBL18420655 0.95 TTR (0.72) TTRCYP1A2AURKAAURKBCDK2
SCHEMBL2290618 0.95 TTR (0.72) TTRCYP1A2AURKAAURKBCDK2
Hydrochloric Acid SCHEMBL7455908 0.95 TTR (0.72) TTRCYP1A2AURKAAURKBCDK2

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 4 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 disclosed
US-5859046-A Biologically active oreido derivatives useful in the treatment of multiple sclerosis PHARMACIA & UPJOHN S.P.A. (IT) 1999-01-12 US 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