SCHEMBL11044229

SCHEMBL11044229

CCOC(=O)c1cc(=O)n(-c2cc(S(=O)(=O)O)ccc2Cl)[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.60
KDM4E B2RXH2 5/20 0.60
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 2/20 0.38
MAPT P10636 5/20 0.38
GAA P10253 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
CTSA P10619 1/20 0.38
BAZ2B Q9UIF8 1/20 0.38
BAZ2A Q9UIF9 1/20 0.38
POLB P06746 2/20 0.37
CYP2C9 P11712 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP6 P55212 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
SCHEMBL5159217 0.85 ALDH1A1 (0.58) ALDH1A1KDM4ESMN1; SMN2LMNAMAPT
SCHEMBL11420507 0.85 ALDH1A1 (0.78) ALDH1A1KDM4ESMN1; SMN2LMNAMAPT
SCHEMBL8990086 0.83 ALDH1A1 (0.58) ALDH1A1KDM4ESMN1; SMN2LMNAMAPT
SCHEMBL9324636 0.82 ALDH1A1 (0.54) ALDH1A1KDM4ESMN1; SMN2LMNAMAPT
SCHEMBL10405696 0.82 ALDH1A1 (0.54) ALDH1A1KDM4ESMN1; SMN2LMNAMAPT
SCHEMBL1266657 0.82 ALKBH5 (0.51) ALDH1A1KDM4ESMN1; SMN2MAPTCTSA
SCHEMBL11420534 0.81 ALDH1A1 (0.68) ALDH1A1KDM4ESMN1; SMN2LMNAMAPT
SCHEMBL10951811 0.80 ALDH1A1 (0.55) ALDH1A1KDM4ESMN1; SMN2LMNAMAPT
SCHEMBL8990119 0.80 ALDH1A1 (0.51) ALDH1A1KDM4ESMN1; SMN2LMNAMAPT
SCHEMBL29665085 0.80 ALDH1A1 (0.58) ALDH1A1KDM4ESMN1; SMN2LMNAMAPT

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
US-4490151-A Disazo sulfophenylpyrazolonestilbene dyes and direct dyes to color cellulose black CROMPTON AND KNOWLES CORPORATION (US) 1984-12-25 US disclosed
US-4455258-A Disazo sulfophenylpyrazolone-sulfostilbene dyes CROMPTON AND KNOWLES CORPORATION (US) 1984-06-19 US disclosed