SCHEMBL20198254

SCHEMBL20198254

Cc1cc(-c2ccc(S(=O)(=O)c3ccccc3)cc2)ccc1S(=O)(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.58
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 2/20 0.51
POLB P06746 2/20 0.51
MAPT P10636 1/20 0.51
ABCC9 O60706 1/20 0.46
ABCC8 Q09428 1/20 0.46
KCNJ11 Q14654 1/20 0.46
KCNJ8 Q15842 1/20 0.46
MMP1 P03956 3/20 0.44
MMP2 P08253 3/20 0.44
MMP9 P14780 3/20 0.44
MMP8 P22894 3/20 0.44
MMP12 P39900 3/20 0.44
MMP13 P45452 3/20 0.44
MMP14 P50281 3/20 0.44
MMP16 P51512 3/20 0.44
MMP3 P08254 2/20 0.43
SFRP1 Q8N474 1/20 0.43
L3MBTL1 Q9Y468 1/20 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
SCHEMBL20198343 0.86 HSD11B1 (0.54) HTR6SMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL4135815 0.85 HTR6 (0.51) HTR6SMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL30513963 0.80 ALDH1A1 (0.54) HTR6SMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL2487383 0.80 ALDH1A1 (0.54) HTR6SMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL28053976 0.80 MMP1 (0.55) HTR6POLBABCC9ABCC8KCNJ11
SCHEMBL4402282 0.80 ALDH1A1 (0.53) HTR6SMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL4403011 0.80 ALDH1A1 (0.49) HTR6SMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL12336792 0.80 HTR6 (0.58) HTR6SMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL4400959 0.79 HTR6 (0.56) HTR6SMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL197508 0.79 HTR6 (0.78) HTR6SMN1; SMN2ALDH1A1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1675930-B1 NEW MATERIALS FOR ELECTROLUMINESCENCE AND THE UTILIZATION THEREOF MERCK PATENT GMBH (DE) 2018-05-30 EP disclosed