SCHEMBL19982597

SCHEMBL19982597

Nc1ccc(S(=O)(=O)O)c2ccc(S)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.51
AURKA O14965 1/20 0.45
AURKB Q96GD4 1/20 0.45
HSD17B10 Q99714 4/20 0.40
ALDH1A1 P00352 4/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CASP6 P55212 1/20 0.40
TNNI3 P19429 1/20 0.37
TNNT2 P45379 1/20 0.37
TNNC1 P63316 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
NT5E P21589 1/20 0.36
NQO1 P15559 1/20 0.36
ATIC P31939 1/20 0.35
SENP2 Q9HC62 6/20 0.35
SENP1 Q9P0U3 6/20 0.35
SENP3 Q9H4L4 5/20 0.35
SUMO2 P61956 5/20 0.35
SUMO1 P63165 5/20 0.35

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
SCHEMBL17000438 0.82 TTR (0.55) TTRAURKAAURKBHSD17B10ALDH1A1
SCHEMBL7548396 0.81 TTR (0.55) TTRAURKAAURKBHSD17B10ALDH1A1
SCHEMBL31621937 0.81 ALDH1A1 (0.57) TTRAURKAAURKBHSD17B10ALDH1A1
SCHEMBL1809362 0.81 ALDH1A1 (0.57) TTRAURKAAURKBHSD17B10ALDH1A1
SCHEMBL7736713 0.81 TTR (0.53) TTRAURKAAURKBHSD17B10ALDH1A1
SCHEMBL9178671 0.80 ALDH1A1 (0.42) TTRAURKAAURKBHSD17B10ALDH1A1
SCHEMBL9179068 0.80 CTDSP1 (0.42) TTRAURKAAURKBHSD17B10ALDH1A1
SCHEMBL9314959 0.78 TTR (0.54) TTRAURKAAURKBHSD17B10ALDH1A1
SCHEMBL25990463 0.77 TDP1 (0.39) HSD17B10ALDH1A1MEN1KMT2AHPGD
SCHEMBL29516385 0.76 TTR (0.78) TTRAURKAAURKBHSD17B10ALDH1A1

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-3296363-A1 AZO DYES Kemira Oyj (FI) 2018-03-21 EP disclosed
EP-3296362-A1 AZO DYES Kemira Oyj (FI) 2018-03-21 EP disclosed