SCHEMBL10825017

SCHEMBL10825017

CC(=O)Nc1ccc2c(S(=O)(=O)O)ccc([N+](=O)[O-])c2c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.52
▸ LMNA P02545 4/20 0.52
▸ MAPT P10636 3/20 0.52
▸ GAA P10253 2/20 0.52
▸ ALDH3A1 P30838 2/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ TDP1 Q9NUW8 2/20 0.49
▸ ALDH1A1 P00352 6/20 0.48
▸ KMT2A Q03164 5/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ ENPP2 Q13822 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ POLB P06746 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ HPGD P15428 1/20 0.44

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
SCHEMBL8670530 0.86 L3MBTL1 (0.57) HTTLMNAMAPTGAAALDH3A1
SCHEMBL10825025 0.80 ENPP2 (0.50) TDP1ALDH1A1ENPP2
SCHEMBL6194239 0.78 HTT (0.61) HTTLMNAMAPTGAAALDH3A1
SCHEMBL28335505 0.77 ENPP2 (0.50) TDP1ALDH1A1ENPP2
SCHEMBL11526803 0.77 HTT (0.71) HTTLMNAMAPTGAAALDH3A1
SCHEMBL10825043 0.76 TDP1 (0.49) HTTGAAL3MBTL1TDP1ALDH1A1
SCHEMBL10825049 0.76 PKM (0.44) HTTLMNAMAPTGAAALDH3A1
SCHEMBL2333062 0.76 HTT (0.61) HTTLMNAMAPTGAAALDH3A1
SCHEMBL11434202 0.75 KCNMA1 (0.43) HTTLMNAMAPTGAATDP1
SCHEMBL11434200 0.75 MEN1 (0.56) LMNAMAPTGAAL3MBTL1TDP1

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
EP-0116884-B1 NITRO-NAPHTHYLAMINE SULPHONIC ACIDS BAYER AG (DE) 1986-04-09 — — EP disclosed
EP-0116884-A1 Nitro-naphthylamine sulphonic acids BAYER AG (DE) 1984-08-29 — — EP disclosed
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