SCHEMBL11490860

SCHEMBL11490860

Nc1c(OS(=O)(=O)c2cccc3cccc(O)c23)cc(S(=O)(=O)O)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.44
▸ AURKB Q96GD4 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ SUMO2 P61956 2/20 0.43
▸ SUMO1 P63165 2/20 0.43
▸ SENP7 Q9BQF6 2/20 0.43
▸ SENP2 Q9HC62 2/20 0.43
▸ SENP1 Q9P0U3 2/20 0.43
▸ ESR1 P03372 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ ESR2 Q92731 1/20 0.43
▸ MPL P40238 7/20 0.42
▸ CTRC Q99895 2/20 0.42
▸ SLC7A11 Q9UPY5 3/20 0.41
▸ SENP3 Q9H4L4 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ APP P05067 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ THRB P10828 1/20 0.41

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
SCHEMBL11490858 0.83 MPL (0.50) AURKAAURKBMEN1KMT2ASUMO2
SCHEMBL28963365 0.73 KMT2A (0.49) AURKAAURKBMEN1KMT2AESR1
SCHEMBL465006 0.72 CDK2 (0.53) AURKAAURKBMEN1KMT2AMPL
Water SCHEMBL28963036 0.71 KMT2A (0.47) AURKAAURKBMEN1KMT2AESR1
SCHEMBL153735 0.70 NT5E (0.59) AURKAAURKBMEN1KMT2ASUMO2
SCHEMBL10354361 0.70 CDK2 (0.51) AURKAAURKBMEN1KMT2AMPL
SCHEMBL1808445 0.70 CDK2 (0.59) AURKAAURKBMEN1KMT2AALDH1A1
SCHEMBL29608931 0.70 AURKB (0.64) AURKAAURKBMEN1KMT2ASUMO2
SCHEMBL156055 0.70 AURKB (0.64) AURKAAURKBMEN1KMT2ASUMO2
SCHEMBL15121285 0.70 ESR1 (0.64) AURKAAURKBMEN1KMT2AESR1

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-4212801-A Unsymmetrical 1:2-chromium complexes containing an azo and an azomethine bond BASF AKTIENGESELLSCHAFT (DE) 1980-07-15 — — US disclosed
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