SCHEMBL8990040

SCHEMBL8990040

COC(=O)c1cc(=O)n(-c2cc(Cl)c(S(=O)(=O)O)cc2Cl)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.36
ALKBH5 Q6P6C2 4/20 0.35
CTSA P10619 2/20 0.34
CTPS1 P17812 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 3/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL8990086 0.88 ALDH1A1 (0.58) ALDH1A1KDM4EL3MBTL1CTSAMEN1
SCHEMBL1266941 0.86 ALKBH5 (0.49) ALDH1A1KDM4EALKBH5CTSAMEN1
SCHEMBL692667 0.80 MAPT (0.52) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL8990138 0.80 ATAD2 (0.36) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL10400766 0.78 KDM4E (0.33) ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL6053229 0.78 KDM4E (0.30) ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL11139711 0.77 KDM4E (0.40) ALDH1A1KDM4EL3MBTL1ALKBH5CTSA
SCHEMBL11140976 0.77 KDM4E (0.42) ALDH1A1KDM4EL3MBTL1ALKBH5CTSA
SCHEMBL11121976 0.76 ALKBH5 (0.50) ALDH1A1KDM4EALKBH5CTSAMAPT
SCHEMBL10810956 0.75 ALDH1A1 (0.60) ALDH1A1KDM4EALKBH5CTSAMEN1

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 6 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
EP-0241413-B1 AMINE SALTS OF AZO COMPOUNDS CIBA-GEIGY AG (CH) 1993-03-03 EP disclosed
US-5151505-A Monoazo dyes containing hydroxypyrazole groups CIBA-GEIGY CORPORATION (US) 1992-09-29 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
EP-0241413-A2 Amine salts of azo compounds CIBA-GEIGY AG (CH) 1987-10-14 EP disclosed