SCHEMBL10823359

SCHEMBL10823359

Cc1cc(S(=O)(=O)Nc2c(S(=O)(=O)O)cc(O)c3ccccc23)ccc1NC(=O)Nc1ccc(S(=O)(=O)Nc2c(S(=O)(=O)O)cc(O)c3ccccc23)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.45
▸ CA1 P00915 2/20 0.45
▸ CA2 P00918 2/20 0.45
▸ CA9 Q16790 2/20 0.45
▸ EP300 Q09472 1/20 0.44
▸ KAT2B Q92831 1/20 0.44
▸ KAT8 Q9H7Z6 1/20 0.44
▸ HTT P42858 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ PSD A5PKW4 1/20 0.42
▸ GHSR Q92847 1/20 0.41
▸ MEN1 O00255 6/20 0.41
▸ KMT2A Q03164 6/20 0.41
▸ GAA P10253 5/20 0.41
▸ G6PD P11413 1/20 0.41
▸ MAP1LC3B Q9GZQ8 1/20 0.41
▸ GFER P55789 2/20 0.41
▸ IDH1 O75874 1/20 0.41
▸ HKDC1 Q2TB90 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40

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
SCHEMBL10823574 0.91 CA12 (0.45) CA12CA1CA2CA9EP300
SCHEMBL10823535 0.89 EP300 (0.43) CA12CA1CA2CA9EP300
SCHEMBL10823738 0.86 MEN1 (0.44) CA12CA1CA2CA9EP300
SCHEMBL10823460 0.85 CA12 (0.43) CA12CA1CA2CA9EP300
SCHEMBL10823538 0.84 MEN1 (0.44) CA12CA1CA2CA9EP300
SCHEMBL10823349 0.84 IDH1 (0.43) CA12CA1CA2CA9EP300
SCHEMBL10823573 0.82 MCL1 (0.45) EP300KAT2BKAT8PSDMEN1
SCHEMBL10823633 0.82 CA12 (0.42) CA12CA1CA2CA9EP300
SCHEMBL11348931 0.82 HPSE (0.45) CA12CA1CA2CA9HTT
SCHEMBL10823484 0.82 IDH1 (0.52) CA12CA1CA2CA9HTT

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-H83-H Dental antiplaque agents and inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1986-07-01 — — US disclosed
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