SCHEMBL11235145

SCHEMBL11235145

Cc1ccc(S(=O)(=O)O)c(C)c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
TDP1 Q9NUW8 3/20 0.47
TSHR P16473 6/20 0.42
CYP3A4 P08684 2/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
KDM4E B2RXH2 2/20 0.38
PDE2A O00408 1/20 0.38
PDE5A O76074 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
APEX1 P27695 1/20 0.38
PDE4A P27815 1/20 0.38
BLM P54132 1/20 0.38
PDE1B Q01064 1/20 0.38
PMP22 Q01453 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE7A Q13946 1/20 0.38
PDE1C Q14123 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
SCHEMBL6535739 0.87 ALDH1A1 (0.48) ALDH1A1TDP1TSHRCYP3A4KMT2A
SCHEMBL31169503 0.87 ALDH1A1 (0.48) ALDH1A1TDP1TSHRCYP3A4KMT2A
SCHEMBL9160301 0.86 ALDH1A1 (0.42) ALDH1A1TDP1TSHRCYP3A4KMT2A
SCHEMBL31283356 0.84 ALDH1A1 (0.48) ALDH1A1TDP1TSHRCYP3A4KDM4E
SCHEMBL28105801 0.82 ALDH1A1 (0.47) ALDH1A1TDP1TSHRCYP3A4KDM4E
SCHEMBL9350117 0.82 ALDH1A1 (0.47) ALDH1A1TDP1TSHRCYP3A4KMT2A
SCHEMBL10937492 0.81 TSHR (0.45) ALDH1A1TDP1TSHRCYP3A4KMT2A
SCHEMBL7515257 0.79 ALDH1A1 (0.62) ALDH1A1TDP1TSHRCYP3A4KMT2A
SCHEMBL11749464 0.79 ALDH1A1 (0.62) ALDH1A1TDP1TSHRCYP3A4KMT2A
SCHEMBL4838484 0.78 ALDH1A1 (0.49) ALDH1A1TDP1TSHRCYP3A4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4323682-A BLEACHING CATALYSTS CIBA GEIGY AG (CH) 1982-04-06 US disclosed
US-4216320-A Quinoxaline bleach catalysts CIBA-GEIGY AG (CH) 1980-08-05 US disclosed
US-4202698-A DYE BLEACH CATALYSTS CIBA-GEIGY AG (CH) 1980-05-13 US disclosed
US-4145217-A DYE BLEACH CATALYST CIBA-GEIGY AG (CH) 1979-03-20 US disclosed