SCHEMBL8747432

SCHEMBL8747432

O=S(=O)(O)c1[c]c2cccc(S(=O)(=O)O)c2cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.44
CYP1A2 P05177 3/20 0.39
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
ATIC P31939 2/20 0.33
COMT P21964 1/20 0.33
SNCA P37840 2/20 0.32
CHAT P28329 1/20 0.32
TNNI3 P19429 1/20 0.32
TNNT2 P45379 1/20 0.32
TNNC1 P63316 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
MYC P01106 1/20 0.32
MEN1 O00255 1/20 0.31
NSD2 O96028 1/20 0.31
POLB P06746 1/20 0.31
IDE P14735 1/20 0.31
DUSP3 P51452 1/20 0.31
CCR6 P51684 1/20 0.31
BLM P54132 1/20 0.31

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
SCHEMBL6635201 0.82 TTR (0.44) TTRCYP1A2AURKAAURKBATIC
SCHEMBL8659138 0.81 TTR (0.51) TTRCYP1A2AURKAAURKBATIC
SCHEMBL6631686 0.79 MPL (0.41) TTRCYP1A2ATICSNCAMEN1
SCHEMBL6595683 0.76 CASP6 (0.36) TNNI3TNNT2TNNC1HKDC1NSD2
SCHEMBL1807070 0.73 TTR (0.50) TTRCYP1A2AURKAAURKBATIC
SCHEMBL6634638 0.72 TTR (0.42) TTRCYP1A2AURKAAURKBATIC
SCHEMBL11650093 0.72 HPRT1 (0.42) CYP1A2KMT2AALDH1A1HIF1AHSD17B10
SCHEMBL483064 0.72 SMN1; SMN2 (0.37) TTRSNCACDK2ALDH1A1FABP4
SCHEMBL1486014 0.71 TTR (0.44) TTRCYP1A2AURKAAURKBATIC
SCHEMBL6634238 0.71 TTR (0.37) TTRCYP1A2ATICMYCCDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0538900-B1 Water-soluble azo compounds, process for their preparation and their use as dyes HOECHST AG (DE) 1997-03-05 EP disclosed
US-5292871-A Water-soluble compounds having a fiber-reactive group of the vinyl sulfone monoazo series bonded to an alkanoylamino of benzoylamino grouping, suitable as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1994-03-08 US disclosed
EP-0538900-A2 Water-soluble azo compounds, process for their preparation and their use as dyes HOECHST AKTIENGESELLSCHAFT (DE) 1993-04-28 EP disclosed