SCHEMBL10823352

SCHEMBL10823352

Cc1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)O)c3cc(O)ccc23)ccc1NC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)O)c3cc(O)ccc23)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 1/20 0.41
▸ CYTH2 Q99418 2/20 0.41
▸ EP300 Q09472 1/20 0.39
▸ KAT2B Q92831 1/20 0.39
▸ KAT8 Q9H7Z6 1/20 0.39
▸ KMT2A Q03164 6/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ GFER P55789 2/20 0.39
▸ MAP1LC3B Q9GZQ8 1/20 0.39
▸ HPSE Q9Y251 1/20 0.39
▸ IDH1 O75874 1/20 0.39
▸ KEAP1 Q14145 2/20 0.39
▸ NFE2L2 Q16236 2/20 0.39
▸ GAA P10253 3/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CA12 O43570 2/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ PKM P14618 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
SCHEMBL10823696 0.85 TIMP3 (0.47) EP300KAT2BKAT8KMT2AMEN1
SCHEMBL10823370 0.85 EP300 (0.43) EP300KAT2BKAT8KMT2AMEN1
SCHEMBL10823773 0.83 IDH1 (0.45) EP300KAT2BKAT8KMT2AMEN1
SCHEMBL10823472 0.83 PTGES (0.46) PTGESCYTH2KMT2AMEN1GFER
SCHEMBL10823553 0.83 PTGES (0.50) PTGESKMT2AMEN1IDH1GAA
SCHEMBL10823454 0.83 CA12 (0.41) EP300KAT2BKAT8KMT2AMEN1
SCHEMBL10823421 0.82 MEN1 (0.48) KMT2AMEN1HPSEIDH1ALDH1A1
SCHEMBL10823443 0.81 MEN1 (0.44) PTGESCYTH2KMT2AMEN1GFER
SCHEMBL10823744 0.81 PRMT1 (0.44) PTGESCYTH2KMT2AMEN1GFER
SCHEMBL10823471 0.81 EP300 (0.44) EP300KAT2BKAT8KMT2AMEN1

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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