SCHEMBL9645144

SCHEMBL9645144

Cc1c(N)c(S(=O)(=O)O)cc(S(=O)(=O)Oc2cccc3ccccc23)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 4/20 0.42
▸ GAA P10253 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ESR2 Q92731 2/20 0.42
▸ HTR6 P50406 2/20 0.40
▸ SCN9A Q15858 2/20 0.36
▸ SENP2 Q9HC62 3/20 0.36
▸ SENP1 Q9P0U3 3/20 0.36
▸ SUMO2 P61956 2/20 0.36
▸ SUMO1 P63165 2/20 0.36
▸ SENP7 Q9BQF6 2/20 0.36
▸ SENP3 Q9H4L4 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ TTR P02766 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ MAPK1 P28482 1/20 0.33

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
SCHEMBL9645131 0.83 ESR1 (0.41) ESR1GAAMEN1KMT2AESR2
SCHEMBL11382698 0.81 ESR1 (0.39) ESR1GAAMEN1KMT2AESR2
SCHEMBL9646033 0.81 MEN1 (0.38) ESR1GAAMEN1KMT2AESR2
SCHEMBL9645138 0.75 MEN1 (0.37) ESR1GAAMEN1KMT2AESR2
SCHEMBL28040872 0.75 KMT2A (0.50) ESR1GAAMEN1KMT2AESR2
SCHEMBL28963365 0.72 KMT2A (0.49) ESR1GAAMEN1KMT2AESR2
Water SCHEMBL28963036 0.71 KMT2A (0.47) ESR1GAAMEN1KMT2AESR2
SCHEMBL1548998 0.70 MEN1 (0.71) ESR1GAAMEN1KMT2AESR2
SCHEMBL6099899 0.70 HTR6 (0.54) ESR1GAAMEN1KMT2AESR2
SCHEMBL5366484 0.69 MEN1 (0.56) ESR1GAAMEN1KMT2AESR2

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
US-5106960-A Fiber-reactive and monoazo red and yellow dyes; color- and washfastness; formaldehyde-resistance; brightness CIBA-GEIGY CORPORATION (US) 1992-04-21 — — US disclosed
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