SCHEMBL11530596

SCHEMBL11530596

O=c1cc(CS(=O)(=O)O)[nH]n1-c1cccc(S(=O)(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
CLK4 Q9HAZ1 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALKBH5 Q6P6C2 7/20 0.39
MPL P40238 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
BLM P54132 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTR6 P50406 1/20 0.34
CTSA P10619 1/20 0.32
KDM4A O75164 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
KDM5B Q9UGL1 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
SCHEMBL11532835 0.87 TSHR (0.41) TSHRCLK4ALDH1A1HSD17B10TDP1
SCHEMBL11296133 0.87 TSHR (0.56) TSHRCLK4ALDH1A1TDP1ALKBH5
SCHEMBL393039 0.81 ALDH1A1 (0.53) TSHRALDH1A1HSD17B10TDP1ALKBH5
SCHEMBL10400767 0.81 ALDH1A1 (0.47) TSHRALDH1A1HSD17B10TDP1ALKBH5
SCHEMBL10698670 0.81 ALDH1A1 (0.53) TSHRALDH1A1HSD17B10TDP1ALKBH5
SCHEMBL693103 0.79 ALKBH5 (0.64) TSHRALDH1A1HSD17B10TDP1ALKBH5
SCHEMBL11526833 0.78 ALKBH5 (0.52) TSHRCLK4ALDH1A1HSD17B10TDP1
SCHEMBL11534268 0.78 MAPT (0.45) TSHRCLK4ALDH1A1TDP1ALKBH5
SCHEMBL11530445 0.78 TSHR (0.41) TSHRCLK4ALDH1A1HSD17B10TDP1
SCHEMBL11533469 0.78 ALKBH5 (0.52) TSHRCLK4ALDH1A1TDP1ALKBH5

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-4141890-A FIBER-REACTIVE CIBA-GEIGY CORPORATION (US) 1979-02-27 US disclosed