SCHEMBL2641219

SCHEMBL2641219

Cc1ccccc1NCc1ccc(S(=O)(=O)O)cc1S(=O)(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
MAPT P10636 5/20 0.48
HTT P42858 4/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
POLB P06746 2/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
ALOX12 P18054 1/20 0.41
MPI P34949 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CASP6 P55212 1/20 0.39
ADRA2C P18825 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 1/20 0.38
CA12 O43570 2/20 0.38

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
SCHEMBL5313661 0.85 MAPT (0.38) ALDH1A1MAPTHTTKMT2AMEN1
SCHEMBL574620 0.80 EGFR (0.37) ALDH1A1KMT2AMEN1LMNAGAA
SCHEMBL11681433 0.78 ADRA2C (0.48) ALDH1A1MAPTHTTKMT2AMEN1
SCHEMBL2641216 0.78 SNCA (0.51) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL574369 0.74 SUMO2 (0.36) ALDH1A1MAPTHTTKMT2AMEN1
SCHEMBL14627309 0.74 KMT2A (0.38) ALDH1A1MAPTKMT2AMEN1HSD17B10
SCHEMBL18913830 0.73 TIMP3 (0.41) ALDH1A1KDM4ELMNAHSD17B10CASP6
SCHEMBL17164549 0.73 ESR1 (0.39) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL5115210 0.72 ALDH1A1 (0.41) ALDH1A1KDM4ELMNAHSD17B10CASP6
SCHEMBL19897949 0.72 ESR1 (0.38) ALDH1A1MAPTKMT2AMEN1LMNA

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
JP-2011169611-A METHOD FOR MEASURING CONCENTRATION OF CHLORINE IN SULFURIC ACID SOLUTION SUMITOMO CHEMICAL CO LTD 2011-09-01 JP disclosed
JP-2005249552-A METHOD FOR MEASURING CONCENTRATION OF PERSULFATE JAPAN ORGANO CO LTD 2005-09-15 JP disclosed