SCHEMBL8990119

SCHEMBL8990119

CCOC(=O)c1cc(=O)n(-c2cccc(S(=O)(=O)O)c2)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALKBH5 Q6P6C2 8/20 0.49
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.45
GAA P10253 2/20 0.45
KMT2A Q03164 2/20 0.45
HTT P42858 2/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CTSA P10619 4/20 0.40
ALOX5 P09917 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL8990127 0.88 ALKBH5 (0.54) ALKBH5MEN1KMT2ACTSA
SCHEMBL9324636 0.87 ALDH1A1 (0.54) ALDH1A1KDM4EALKBH5MAPTMEN1
SCHEMBL10405696 0.87 ALDH1A1 (0.54) ALDH1A1KDM4EALKBH5MAPTMEN1
SCHEMBL11426665 0.85 ALDH1A1 (0.68) ALDH1A1KDM4EALKBH5MAPTMEN1
SCHEMBL2229684 0.82 MAPT (0.62) ALDH1A1KDM4EALKBH5MAPTMEN1
SCHEMBL693103 0.81 ALKBH5 (0.64) ALDH1A1ALKBH5CTSA
SCHEMBL5159217 0.81 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTMEN1GAA
SCHEMBL8990104 0.80 ALKBH5 (0.49) ALKBH5CTSA
SCHEMBL8751481 0.80 ALDH1A1 (0.49) ALDH1A1KDM4EALKBH5MAPTMEN1
SCHEMBL7894943 0.80 ALDH1A1 (0.49) ALDH1A1KDM4EALKBH5MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE35359-E Amine salts of azo pigments based on pyrazolone derivatives CIBA-GEIGY CORPORATION (US) 1996-10-22 US disclosed
US-5151505-A Monoazo dyes containing hydroxypyrazole groups CIBA-GEIGY CORPORATION (US) 1992-09-29 US disclosed
US-4992495-A Yellow pigment CIBA-GEIGY CORPORATION (US) 1991-02-12 US disclosed
US-4980458-A Mixed sodium, ammonium and/or calcium salt crystals of laked monoazo disulfonated pyrazolone pigments CIBA-GEIGY CORPORATION (US) 1990-12-25 US disclosed
EP-0263074-A2 Mixed crystals of laked azo dyes CIBA-GEIGY AG (CH) 1988-04-06 EP disclosed
US-4144231-A Soluble trisazo dyestuffs containing a 2-phenyl-benzimidazolyl, -benzoxazolyl or -benzthiazolyl middle component CASSELLA AKTIENGESELLSCHAFT (DE) 1979-03-13 US disclosed
US-4143033-A WATER-SOLUBLE DISAZO DYESTUFFS CONTAINING A 2-PHENYL-BENZIMIDAZOLYL,-BENZOXAZOLYL OR-BENZTHIAZOLYL MIDDLE COMPONENT CASSELLA AKTIENGESELLSCHAFT (DE) 1979-03-06 US disclosed