SCHEMBL9878671

SCHEMBL9878671

Nc1ccc(Nc2cccc(O)c2)c(S(=O)(=O)CCO)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
TDP1 Q9NUW8 4/20 0.51
GAA P10253 3/20 0.51
KDM4E B2RXH2 2/20 0.51
POLB P06746 2/20 0.51
MAPT P10636 2/20 0.51
RECQL P46063 2/20 0.51
CASP6 P55212 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
NSD2 O96028 1/20 0.51
APEX1 P27695 1/20 0.51
APOBEC3A P31941 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51
RAPGEF4 Q8WZA2 2/20 0.47
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ELAVL1 Q15717 1/20 0.43
HSD17B10 Q99714 1/20 0.40
BRAF P15056 4/20 0.40
NT5E P21589 1/20 0.40

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
SCHEMBL10911901 0.86 RAPGEF4 (0.57) ALDH1A1TDP1GAAKDM4EPOLB
SCHEMBL10389482 0.82 ALDH1A1 (0.49) ALDH1A1TDP1GAAKDM4EPOLB
SCHEMBL10693454 0.80 TDP1 (0.57) ALDH1A1TDP1GAAKDM4EPOLB
SCHEMBL17774696 0.79 RAPGEF4 (0.59) ALDH1A1TDP1GAAKDM4EPOLB
SCHEMBL10389480 0.75 RAPGEF4 (0.48) ALDH1A1TDP1GAAKDM4EPOLB
SCHEMBL10388839 0.75 RAPGEF4 (0.48) ALDH1A1TDP1GAAKDM4EPOLB
SCHEMBL10388837 0.75 L3MBTL1 (0.50) ALDH1A1TDP1GAAKDM4EPOLB
SCHEMBL8164756 0.74 CA2 (0.43) ALDH1A1TDP1GAAKDM4EPOLB
SCHEMBL10389136 0.73 RAPGEF4 (0.45) ALDH1A1TDP1GAAKDM4EPOLB
SCHEMBL9153370 0.73 ALDH1A1 (0.80) ALDH1A1TDP1GAAKDM4EPOLB

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-4992589-A Substituted phenyl hydroxyethyl sulfones, and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1991-02-12 US disclosed