SCHEMBL10412445

SCHEMBL10412445

CC1=NN(c2cc(N)ccc2S(=O)(=O)O)CC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
MAPT P10636 4/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
GAA P10253 3/20 0.36
CASP6 P55212 3/20 0.36
KMT2A Q03164 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
POLB P06746 2/20 0.36
RECQL P46063 2/20 0.36
ELAVL1 Q15717 1/20 0.36
PDK2 Q15119 1/20 0.34
RAPGEF4 Q8WZA2 1/20 0.34
MYC P01106 1/20 0.33
NSD2 O96028 1/20 0.33
APEX1 P27695 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
LMNA P02545 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
SCHEMBL11431757 0.85 ALDH1A1 (0.43) ALDH1A1MAPTGAACASP6KMT2A
SCHEMBL10859485 0.82 ALDH1A1 (0.34) ALDH1A1MAPTL3MBTL1GAACASP6
SCHEMBL11683076 0.81 MYC (0.50) ALDH1A1MAPTGAACASP6KMT2A
SCHEMBL8990101 0.73 ALDH1A1 (0.56) ALDH1A1MAPTGAACASP6KMT2A
SCHEMBL11556310 0.70 KMT2A (0.41) ALDH1A1MAPTL3MBTL1GAACASP6
SCHEMBL9309242 0.69 KAT8 (0.41) ALDH1A1MAPTL3MBTL1GAACASP6
SCHEMBL9343219 0.68 MAPT (0.44) ALDH1A1MAPTL3MBTL1GAACASP6
SCHEMBL158650 0.66 L3MBTL1 (0.68) ALDH1A1MAPTL3MBTL1GAACASP6
SCHEMBL14989103 0.65 L3MBTL1 (0.66) ALDH1A1MAPTL3MBTL1GAACASP6
SCHEMBL29517568 0.64 RAPGEF4 (0.49) ALDH1A1MAPTL3MBTL1GAACASP6

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-4906738-A Water-soluble phenyl- or naphthyl-azo-carboxypyrazolone compounds, containing a fiber-reactive group with a chloratriazinyl moiety and a group of the vinylsulfone series in the pyrazolone coupling component, suitable as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1990-03-06 US disclosed