SCHEMBL6401295

SCHEMBL6401295

O=CNc1cccc(S(=O)(=O)O)c1.[KH]

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
TSHR P16473 2/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CASR P41180 3/20 0.43
SNCA P37840 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CA1 P00915 9/20 0.41
CA2 P00918 9/20 0.41
CA4 P22748 7/20 0.41
LMNA P02545 2/20 0.39
CA12 O43570 1/20 0.38
MAPT P10636 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL8624055 0.98 ALDH1A1 (0.48) ALDH1A1TSHRHSD17B10TDP1CASR
SCHEMBL28755134 0.89 ALDH1A1 (0.49) ALDH1A1TSHRHSD17B10TDP1CASR
SCHEMBL11511622 0.80 ALDH1A1 (0.47) ALDH1A1HSD17B10TDP1SMN1; SMN2CA1
SCHEMBL14500827 0.80 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2CA1CA2CA4
SCHEMBL7563290 0.80 CA2 (0.57) CA1CA2CA4CA12MAPT
SCHEMBL6389232 0.79 TSHR (0.55) ALDH1A1TSHRHSD17B10TDP1CASR
SCHEMBL8751359 0.77 TNNI3K (0.55) LMNA
SCHEMBL6407809 0.77 LMNA (0.56) ALDH1A1TSHRTDP1SNCASMN1; SMN2
SCHEMBL9353883 0.77 TSHR (0.53) ALDH1A1TSHRHSD17B10TDP1CASR
SCHEMBL28363834 0.76 TSHR (0.44) ALDH1A1TSHRHSD17B10TDP1CASR

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
US-20050130251-A1 Reagent for determination of hydrogen peroxide KYOWA MEDEX CO., LTD. (JP) 2005-06-16 US disclosed
EP-1424554-A1 REAGENT FOR DETERMINING HYDROGEN PEROXIDE KYOWA MEDEX CO., LTD. (JP) 2004-06-02 EP disclosed