SCHEMBL10823454

SCHEMBL10823454

Cc1cc(S(=O)(=O)Nc2cccc3c(S(=O)(=O)O)cc(O)cc23)ccc1NC(=O)Nc1ccc(S(=O)(=O)Nc2cccc3c(S(=O)(=O)O)cc(O)cc23)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ EP300 Q09472 1/20 0.40
▸ KAT2B Q92831 1/20 0.40
▸ KAT8 Q9H7Z6 1/20 0.40
▸ HTT P42858 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ KEAP1 Q14145 3/20 0.40
▸ NFE2L2 Q16236 3/20 0.40
▸ KMT2A Q03164 5/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ IDH2 P48735 1/20 0.39
▸ PSD A5PKW4 1/20 0.38
▸ GHSR Q92847 1/20 0.38

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
SCHEMBL10823370 0.85 EP300 (0.43) CA12CA1CA2CA9EP300
SCHEMBL10823633 0.85 CA12 (0.42) CA12CA1CA2CA9EP300
SCHEMBL10823707 0.84 MEN1 (0.49) HTTPOLBKMT2AMEN1ALDH1A1
SCHEMBL10823516 0.84 MEN1 (0.42) CA12CA1CA2CA9HTT
SCHEMBL10823762 0.84 EP300 (0.46) CA12CA1CA2CA9EP300
SCHEMBL10823471 0.84 EP300 (0.44) CA12CA1CA2CA9EP300
SCHEMBL10823622 0.84 HPSE (0.40) CA12CA1CA2CA9EP300
SCHEMBL10823487 0.84 EP300 (0.46) CA12CA1CA2CA9EP300
SCHEMBL10823435 0.84 KMT2A (0.52) CA12CA1CA2CA9HTT
SCHEMBL10823352 0.83 PTGES (0.41) CA12CA1CA2CA9EP300

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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