SCHEMBL9160632

SCHEMBL9160632

Nc1ccc(Nc2ccc(S(=O)(=O)O)cc2)cc1S(=O)(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.63
SNCA P37840 2/20 0.51
RAPGEF4 Q8WZA2 1/20 0.47
NT5E P21589 2/20 0.46
ALDH1A1 P00352 5/20 0.46
TSHR P16473 1/20 0.46
CASP6 P55212 4/20 0.44
NSD2 O96028 2/20 0.44
DUSP3 P51452 1/20 0.44
PTPN5 P54829 1/20 0.44
CASP7 P55210 1/20 0.44
PTPN11 Q06124 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 2/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
RECQL P46063 2/20 0.43
TDP1 Q9NUW8 2/20 0.43

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
SCHEMBL9156052 0.91 CTDSP1 (0.68) CTDSP1SNCARAPGEF4NT5EALDH1A1
SCHEMBL7758432 0.88 CTDSP1 (0.65) CTDSP1SNCARAPGEF4NT5EALDH1A1
SCHEMBL19982688 0.87 CTDSP1 (0.49) CTDSP1SNCARAPGEF4NT5EALDH1A1
SCHEMBL9157908 0.87 CTDSP1 (0.63) CTDSP1SNCARAPGEF4NT5EALDH1A1
SCHEMBL10404213 0.85 CTDSP1 (0.62) CTDSP1SNCARAPGEF4NT5EALDH1A1
SCHEMBL10346475 0.85 CTDSP1 (0.66) CTDSP1SNCARAPGEF4NT5EALDH1A1
SCHEMBL9155793 0.85 CTDSP1 (0.61) CTDSP1SNCARAPGEF4NT5EALDH1A1
SCHEMBL10703629 0.84 NT5E (0.65) CTDSP1RAPGEF4NT5EL3MBTL1KDM4E
SCHEMBL4650529 0.81 CTDSP1 (0.73) CTDSP1SNCARAPGEF4ALDH1A1CASP6
SCHEMBL9151766 0.81 CTDSP1 (0.57) CTDSP1SNCARAPGEF4NT5EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0406629-B1 Method of producing azo dyes BAYER AG (DE) 1995-02-22 EP disclosed
EP-0406629-A2 Method of producing azo dyes BAYER AG (DE) 1991-01-09 EP disclosed