SCHEMBL2641216

SCHEMBL2641216

Cc1ccc(NCc2ccc(S(=O)(=O)O)cc2S(=O)(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.51
CA1 P00915 9/20 0.48
CA2 P00918 9/20 0.48
CA12 O43570 8/20 0.48
CA9 Q16790 7/20 0.48
MAPT P10636 2/20 0.44
EGFR P00533 1/20 0.44
TYMS P04818 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
RECQL P46063 1/20 0.42
CASP6 P55212 1/20 0.42
KMT2A Q03164 1/20 0.42
ELAVL1 Q15717 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 1/20 0.41

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
SCHEMBL574620 0.79 EGFR (0.37) SNCACA1CA2CA12CA9
SCHEMBL11222904 0.78 TYMS (0.47) SNCACA1CA2CA12CA9
SCHEMBL11226800 0.77 CA1 (0.71) SNCACA1CA2CA12CA9
SCHEMBL5313661 0.77 MAPT (0.38) SNCAMAPTEGFRMEN1ALDH1A1
SCHEMBL14627309 0.76 KMT2A (0.38) SNCAMAPTMEN1ALDH1A1CASP6
SCHEMBL18913830 0.75 TIMP3 (0.41) SNCACA1CA2CA12CA9
SCHEMBL5115210 0.74 ALDH1A1 (0.41) SNCACA1CA2CA12KDM4E
SCHEMBL17223605 0.74 CNR2 (0.42) SNCAMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL574369 0.74 SUMO2 (0.36) SNCACA1CA2CA12CA9
SCHEMBL9853405 0.73 TIMP3 (0.37) SNCACA1CA2CA12EGFR

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