SCHEMBL10652053

SCHEMBL10652053

Cc1ccc([N+](=O)[O-])c(C(=O)O)c1S(=O)(=O)N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ POLB P06746 2/20 0.50
▸ MAPT P10636 5/20 0.49
▸ TP53 P04637 1/20 0.49
▸ ALDH1A1 P00352 7/20 0.48
▸ MAPK1 P28482 3/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ LMNA P02545 3/20 0.48
▸ HTT P42858 1/20 0.48
▸ GAA P10253 4/20 0.48
▸ L3MBTL1 Q9Y468 3/20 0.48
▸ TDP1 Q9NUW8 3/20 0.48
▸ HPGD P15428 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ ATM Q13315 1/20 0.46

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
SCHEMBL10652663 0.80 KMT2A (0.44) KMT2AMEN1POLBMAPTTP53
SCHEMBL10655216 0.80 GFER (0.47) KMT2AMEN1POLBALDH1A1SMN1; SMN2
SCHEMBL9620470 0.79 ALDH1A1 (0.54) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL10653057 0.78 KMT2A (0.67) KMT2AMEN1POLBMAPTTP53
SCHEMBL4815935 0.75 TDP1 (0.54) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL6562303 0.73 KMT2A (0.50) KMT2AMEN1POLBMAPTTP53
SCHEMBL6563976 0.72 KMT2A (0.52) KMT2AMEN1POLBMAPTTP53
SCHEMBL10652013 0.71 VCAM1 (0.47) MAPTALDH1A1SMN1; SMN2GAAL3MBTL1
SCHEMBL10653026 0.70 TDP1 (0.45) KMT2AMEN1MAPTALDH1A1L3MBTL1
SCHEMBL10566766 0.70 KMT2A (0.62) KMT2AMEN1POLBMAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0197386-B1 2-(SUBSTITUTED SULFAMYL) DERIVATIVES OF 6-NITROBENZOIC ACID, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1988-11-02 — — EP claimed
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