SCHEMBL157484

SCHEMBL157484

CC(C)Cc1ccc(N)cc1S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.44
ALDH1A1 P00352 7/20 0.43
TDP1 Q9NUW8 4/20 0.43
GAA P10253 3/20 0.43
RECQL P46063 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 2/20 0.43
CASP6 P55212 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ELAVL1 Q15717 1/20 0.43
NSD2 O96028 1/20 0.42
APEX1 P27695 1/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
HSD17B10 Q99714 5/20 0.40
ATM Q13315 1/20 0.38
NT5E P21589 3/20 0.37

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
SCHEMBL11701352 0.89 RAPGEF4 (0.43) RAPGEF4ALDH1A1TDP1GAARECQL
SCHEMBL157845 0.87 RAPGEF4 (0.41) RAPGEF4ALDH1A1TDP1GAARECQL
SCHEMBL157161 0.82 RAPGEF4 (0.49) RAPGEF4ALDH1A1TDP1GAARECQL
SCHEMBL19646301 0.81 GABRA1 (0.51) ALDH1A1TSHRCYP2C9
SCHEMBL29963180 0.80 RAPGEF4 (0.50) RAPGEF4ALDH1A1TDP1GAARECQL
SCHEMBL6427620 0.80 RAPGEF4 (0.50) RAPGEF4ALDH1A1TDP1GAARECQL
SCHEMBL29399463 0.80 RAPGEF4 (0.50) RAPGEF4ALDH1A1TDP1GAARECQL
SCHEMBL9628291 0.80 RAPGEF4 (0.50) RAPGEF4ALDH1A1TDP1GAARECQL
SCHEMBL157483 0.80 ELANE (0.35) ALDH1A1GAAHSD17B10ATMALOX15
SCHEMBL7718118 0.79 RAPGEF4 (0.49) RAPGEF4ALDH1A1TDP1GAARECQL

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-20120056931-A1 MAGENTA COLORING MATTER, INK COMPOSITION, AND COLORED BODY NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2012-03-08 US disclosed