SCHEMBL8930392

SCHEMBL8930392

CC(=O)Oc1cc([N+](=O)[O-])cc(S(=O)(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.44
MAPT P10636 3/20 0.44
PKM P14618 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
GAA P10253 3/20 0.39
NSD2 O96028 1/20 0.39
PLCG1 P19174 1/20 0.39
DNMT1 P26358 1/20 0.39
CASP6 P55212 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 4/20 0.38
ALDH1A1 P00352 2/20 0.37
HSP90AA1 P07900 1/20 0.37
ALOX5 P09917 2/20 0.37
HTT P42858 2/20 0.37
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
TTR P02766 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL462857 0.84 ALOX5 (0.49) POLBMAPTPKMGAALMNA
SCHEMBL668513 0.78 CYP19A1 (0.52) TDP1GAANSD2PLCG1DNMT1
SCHEMBL11228135 0.78 GAA (0.52) TDP1GAANSD2PLCG1DNMT1
SCHEMBL16951652 0.78 TSHR (0.57) MAPTGAALMNAALDH1A1ALOX5
SCHEMBL16958760 0.76 ALOX5 (0.46) MAPTGAAL3MBTL1LMNAALDH1A1
SCHEMBL16951649 0.76 ALOX5 (0.43) POLBMAPTGAALMNAALDH1A1
SCHEMBL11221366 0.76 GAA (0.50) TDP1GAANSD2PLCG1DNMT1
SCHEMBL28543490 0.76 GAA (0.50) TDP1GAANSD2PLCG1DNMT1
SCHEMBL19425974 0.75 MAPT (0.42) POLBMAPTPKMTDP1GAA
SCHEMBL16955456 0.74 CYP4F2 (0.58) POLBMAPTLMNAALDH1A1ALOX5

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
US-5665150-A Dye and ink compositions XEROX CORPORATION (US) 1997-09-09 US disclosed