SCHEMBL8820528

SCHEMBL8820528

Cc1ccccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
GAA P10253 3/20 0.54
HTT P42858 1/20 0.54
PRMT5 O14744 1/20 0.52
WDR77 Q9BQA1 1/20 0.52
CA2 P00918 2/20 0.51
CA5A P35218 1/20 0.51
MET P08581 1/20 0.50
MEN1 O00255 3/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 1/20 0.49
CA1 P00915 1/20 0.48
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MMP13 P45452 1/20 0.48
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 2/20 0.46

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
SCHEMBL8820649 0.85 ALPL (0.51) KMT2AGAAHTTCA2CA5A
SCHEMBL13724053 0.84 KMT2A (0.51) KMT2AGAAHTTPRMT5WDR77
SCHEMBL11450465 0.81 ALDH1A1 (0.51) KMT2AGAAMEN1MAPTHPGD
SCHEMBL5482958 0.81 ALDH1A1 (0.62) KMT2AGAAHTTPRMT5WDR77
SCHEMBL13724015 0.81 KMT2A (0.48) KMT2AGAAHTTPRMT5WDR77
SCHEMBL8820307 0.81 KMT2A (0.56) KMT2AGAAHTTPRMT5WDR77
SCHEMBL27464615 0.80 KMT2A (0.60) KMT2AGAAHTTPRMT5WDR77
SCHEMBL2358370 0.79 MET (0.47) KMT2AGAAHTTPRMT5WDR77
SCHEMBL11458521 0.78 ALPL (0.58) MAPTALDH1A1ALPLALPI
SCHEMBL8818922 0.78 GPR17 (0.65) KMT2AGAAHTTPRMT5WDR77

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
WO-1997048677-A1 NON-IONIC PHOTOACID GENERATORS WITH IMPROVED QUANTUM EFFICIENCY PPG INDUSTRIES, INC. (US) 1997-12-24 WO disclosed