SCHEMBL2774792

SCHEMBL2774792

O=S(=O)(O)c1ccc2c(S(=O)(=O)O)cccc2c1S(=O)(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.60
CYP1A2 P05177 3/20 0.54
AURKA O14965 1/20 0.47
AURKB Q96GD4 1/20 0.47
COMT P21964 1/20 0.43
CDK2 P24941 1/20 0.42
ATIC P31939 2/20 0.42
CTRB1 P17538 1/20 0.41
TNNI3 P19429 1/20 0.41
TNNT2 P45379 1/20 0.41
TNNC1 P63316 1/20 0.41
HKDC1 Q2TB90 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.40
NSD2 O96028 1/20 0.40
POLB P06746 1/20 0.40
IDE P14735 1/20 0.40

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
SCHEMBL29363198 0.87 TTR (0.75) TTRCYP1A2AURKAAURKBCOMT
SCHEMBL6242 0.87 TTR (0.75) TTRCYP1A2AURKAAURKBCOMT
SCHEMBL30233642 0.87 TTR (0.75) TTRCYP1A2AURKAAURKBCOMT
SCHEMBL8113738 0.86 TTR (0.55) TTRCYP1A2AURKAAURKBCOMT
SCHEMBL30322685 0.85 TTR (0.68) TTRCYP1A2AURKAAURKBCOMT
SCHEMBL313371 0.85 TTR (0.53) TTRCYP1A2AURKAAURKBCOMT
SCHEMBL2686041 0.85 TTR (0.53) TTRCYP1A2AURKAAURKBCOMT
SCHEMBL313372 0.85 TTR (0.68) TTRCYP1A2AURKAAURKBCOMT
Ammonia Solution, Strong SCHEMBL25312340 0.84 TTR (0.72) TTRCYP1A2AURKAAURKBCOMT
Water SCHEMBL242080 0.84 TTR (0.72) TTRCYP1A2AURKAAURKBCOMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2204422-B1 WATER-BASED INK COMPOSITION FOR BALLPOINT PENS PILOT INK CO LTD (JP) 2015-11-18 EP disclosed
CN-104238267-A Coloring combination for color filter and color filter TOYO INK SC HOLDINGS CO LTD 2014-12-24 CN disclosed
US-8403579-B2 Water-based ink composition for ballpoint pens THE PILOT INK CO., LTD. (JP) 2013-03-26 US disclosed
US-20100232865-A1 WATER-BASED INK COMPOSITION FOR BALLPOINT PENS THE PILOT INK CO., LTD. (JP) 2010-09-16 US disclosed
EP-2204422-A1 WATER-BASED INK COMPOSITION FOR BALLPOINT PENS THE PILOT INK CO., LTD. (JP) 2010-07-07 EP disclosed
WO-2009132050-A2 AURIS FORMULATIONS FOR TREATING OTIC DISEASES AND CONDITIONS OTONOMY, INC. (US) 2009-10-29 WO disclosed
WO-2005079250-A2 PURINES ARE SELF-RENEWAL SIGNALS FOR NEURAL STEM CELLS, AND PURINE RECEPTOR ANTAGONISTS PROMOTE NEURONAL AND GLIAL DIFFERENTIATION THEREFROM CORNELL RESEARCH FOUNDATION, INC. (US) 2005-09-01 WO disclosed
WO-2001034596-A2 PYRROLECARBONYLIMINO DERIVATIVES AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 2001-05-17 WO disclosed
EP-0975341-A1 SYNERGISTIC ANTITUMOR COMPOSITION CONTAINING A NAPHTHALENSULPHONIC ACID DERIVATIVE PHARMACIA & UPJOHN S.p.A. (IT) 2000-02-02 EP disclosed
WO-1999034796-A1 SYNERGISTIC ANTITUMOR COMPOSITION CONTAINING A NAPHTHALENSULPHONIC ACID DERIVATIVE PHARMACIA & UPJOHN S.P.A. (IT) 1999-07-15 WO disclosed
WO-1991013624-A1 ENDOGENOUS, SURAMIN-INDUCED, SULFATED GLYCOSAMINOGLYCANS AS ANTI-CANCER AGENTS IN HUMANS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, U.S. DEPARTMENT OF COMMERCE (US) 1991-09-19 WO disclosed