SCHEMBL9335152

SCHEMBL9335152

O=[N+]([O-])c1ccc(SSCCO)c([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.58
TXNRD3 Q86VQ6 1/20 0.58
TXNRD2 Q9NNW7 1/20 0.58
MAPT P10636 4/20 0.56
ALDH1A1 P00352 4/20 0.56
GAA P10253 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CA2 P00918 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.47
GPR35 Q9HC97 2/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
MGLL Q99685 5/20 0.46
FAAH O00519 4/20 0.46
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL11823867 0.91 TXNRD1 (0.66) TXNRD1TXNRD3TXNRD2MAPTALDH1A1
SCHEMBL10547907 0.85 TXNRD1 (0.58) TXNRD1TXNRD3TXNRD2MAPTALDH1A1
SCHEMBL832001 0.84 ALDH1A1 (0.71) TXNRD1TXNRD3TXNRD2MAPTALDH1A1
SCHEMBL6161726 0.82 TXNRD1 (0.78) TXNRD1TXNRD3TXNRD2MAPTALDH1A1
SCHEMBL30128616 0.82 TXNRD1 (0.78) TXNRD1TXNRD3TXNRD2MAPTALDH1A1
SCHEMBL11163992 0.80 ALDH1A1 (0.40) TXNRD1TXNRD3TXNRD2MAPTALDH1A1
SCHEMBL8442596 0.79 TXNRD1 (0.72) TXNRD1TXNRD3TXNRD2MAPTALDH1A1
SCHEMBL9287681 0.77 TXNRD1 (0.55) TXNRD1TXNRD3TXNRD2MAPTALDH1A1
SCHEMBL8442593 0.76 TXNRD1 (0.68) TXNRD1TXNRD3TXNRD2MAPTALDH1A1
SCHEMBL8379730 0.76 TXNRD1 (0.68) TXNRD1TXNRD3TXNRD2MAPTALDH1A1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0348826-B1 Isobenzothiazolone chromogenic thiol indicators and their derivatives MILES INC (US) 1994-04-13 EP disclosed
EP-0240849-B1 Controlled hue test device MILES INC (US) 1993-11-24 EP disclosed
EP-0239926-B1 RAINBOW TEST DEVICE MILES INC. (US) 1993-06-23 EP disclosed
US-5220035-A Test compositions which generate different hues at different analyte concentrations MILES INC. (US) 1993-06-15 US disclosed
US-5187265-A Medical diagnosis MILES INC. (US) 1993-02-16 US disclosed
US-5187105-A Process for determining thiols using chromogenic benzoisothiazolone derivatives MILES INC. (US) 1993-02-16 US disclosed
US-5130433-A Indicators for detection of thiol MILES INC. (US) 1992-07-14 US disclosed
US-5128457-A Medical diagnosis MILES INC. (US) 1992-07-07 US disclosed
US-5041658-A Indicator generates a variety of hues depending on the analyte concentration MILES INC. (US) 1991-08-20 US disclosed
US-4975367-A Catalytic test composition intended to produce a range of colors MILES INC. (US) 1990-12-04 US disclosed
US-4898813-A Catalytic test composition intended to produce a range of colors MILES INC. 1990-02-06 US disclosed
EP-0348826-A2 Isobenzothiazolone chromogenic thiol indicators and their derivatives MILES INC. (US) 1990-01-03 EP disclosed
EP-0240849-A2 Controlled hue test device MILES INC. (US) 1987-10-14 EP disclosed
EP-0239926-A2 Rainbow test device MILES INC. (US) 1987-10-07 EP disclosed