SCHEMBL6698062

SCHEMBL6698062

CC(Nc1ccccc1)S(N)(=O)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.52
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 3/20 0.45
CYP3A4 P08684 2/20 0.45
ALOX15 P16050 2/20 0.45
TSHR P16473 2/20 0.45
ALOX12 P18054 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 1/20 0.45
THRB P10828 1/20 0.45
RECQL P46063 1/20 0.45
ATM Q13315 1/20 0.45
KEAP1 Q14145 2/20 0.43
GAA P10253 2/20 0.40
CA12 O43570 4/20 0.39
CA9 Q16790 4/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL30833748 0.81 TDP1 (0.54) TDP1CA1CA2ALDH1A1HSD17B10
SCHEMBL1608004 0.79 TDP1 (0.52) TDP1CA1CA2ALDH1A1HSD17B10
SCHEMBL14535198 0.78 TDP1 (0.61) TDP1ALDH1A1HSD17B10CYP3A4ALOX15
SCHEMBL13291022 0.76 TDP1 (0.48) TDP1CA1CA2ALDH1A1HSD17B10
SCHEMBL9670764 0.72 KIF11 (0.51) CA1CA2ALDH1A1L3MBTL1ATM
SCHEMBL6039794 0.72 CA1 (0.45) TDP1CA1CA2ALDH1A1HSD17B10
SCHEMBL9816528 0.72 TDP1 (0.44) TDP1ALDH1A1HSD17B10CYP3A4ALOX15
Sulfuric Acid SCHEMBL10588282 0.71 ALDH1A1 (0.55) TDP1CA1CA2ALDH1A1HSD17B10
SCHEMBL1061133 0.70 TDP1 (0.64) TDP1ALDH1A1HSD17B10CYP3A4ALOX15
SCHEMBL9450826 0.69 KEAP1 (0.52) TDP1CA1CA2ALDH1A1HSD17B10

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
WO-2004103070-A2 NEMATICIDAL COMPOSITIONS AND METHODS DIVERGENCE, INC. (US) 2004-12-02 WO disclosed