SCHEMBL9853650

SCHEMBL9853650

CC(O)S(=O)(=O)c1cc(N)ccc1NCCO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.38
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 5/20 0.38
GAA P10253 4/20 0.38
MAPT P10636 4/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
CASP6 P55212 3/20 0.38
RECQL P46063 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 2/20 0.38
ELAVL1 Q15717 1/20 0.38
NSD2 O96028 2/20 0.37
APEX1 P27695 1/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
HSD17B10 Q99714 2/20 0.36
TOP2B Q02880 1/20 0.34
SYK P43405 1/20 0.34

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
SCHEMBL9879146 0.92 CYP19A1 (0.40) RAPGEF4KDM4EALDH1A1GAAMAPT
SCHEMBL9878800 0.89 RAPGEF4 (0.38) RAPGEF4KDM4EALDH1A1GAAMAPT
SCHEMBL9877841 0.83 L3MBTL1 (0.45) KDM4EALDH1A1GAAMAPTL3MBTL1
SCHEMBL10536585 0.81 RAPGEF4 (0.43) RAPGEF4KDM4EALDH1A1GAAMAPT
SCHEMBL6578153 0.81 RAPGEF4 (0.58) RAPGEF4KDM4EALDH1A1GAAMAPT
SCHEMBL9350920 0.80 RAPGEF4 (0.42) RAPGEF4KDM4EALDH1A1GAAMAPT
SCHEMBL9877927 0.79 KMT2A (0.54) KDM4EALDH1A1GAAMAPTRECQL
SCHEMBL9878469 0.79 KMT2A (0.42) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL8164756 0.78 CA2 (0.43) RAPGEF4KDM4EALDH1A1GAAMAPT
SCHEMBL9878782 0.78 RAPGEF4 (0.41) RAPGEF4KDM4EALDH1A1GAAMAPT

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
EP-0431389-A2 Azo dyes and process for the manufacture of [5-amino-2-(2-hydroxyethylamino)phenyl](2-hydroxyethyl)sulfone BAYER AG (DE) 1991-06-12 EP disclosed
US-4992589-A Substituted phenyl hydroxyethyl sulfones, and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1991-02-12 US disclosed