SCHEMBL10825049

SCHEMBL10825049

CC(=O)Nc1ccc2c(S(=O)(=O)O)ccc([N+](=O)[O-])c2c1S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.44
▸ KMT2A Q03164 5/20 0.43
▸ ALDH3A1 P30838 1/20 0.43
▸ MAPT P10636 5/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ CASP6 P55212 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ LMNA P02545 3/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CD40 P25942 1/20 0.38
▸ CD40LG P29965 1/20 0.38
▸ THRB P10828 1/20 0.37
▸ PDE7A Q13946 1/20 0.37

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
SCHEMBL11753543 0.78 PKM (0.52) PKMKMT2AALDH3A1MAPTNPSR1
SCHEMBL10825017 0.76 HTT (0.52) KMT2AALDH3A1MAPTNPSR1POLB
SCHEMBL10821013 0.73 CASP6 (0.46) KMT2AMAPTCASP6POLBALDH1A1
SCHEMBL7591545 0.73 MAPT (0.61) PKMKMT2AALDH3A1MAPTNPSR1
SCHEMBL10825030 0.71 KMT2A (0.41) PKMKMT2AALDH3A1MAPTNPSR1
SCHEMBL11595305 0.70 MAPT (0.47) PKMKMT2AALDH3A1MAPTNPSR1
SCHEMBL11597459 0.70 MAPT (0.47) PKMKMT2AALDH3A1MAPTNPSR1
SCHEMBL11154939 0.70 AURKA (0.46) PKMKMT2AMAPTPOLBALDH1A1
SCHEMBL28419026 0.70 SMN1; SMN2 (0.53) PKMKMT2AMAPTCASP6POLB
SCHEMBL8670530 0.70 L3MBTL1 (0.57) PKMKMT2AALDH3A1MAPTNPSR1

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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