SCHEMBL10823549

SCHEMBL10823549

Cc1ccc(NC(=O)Nc2ccc(C)c(S(=O)(=O)Nc3cccc4c(O)ccc(S(=O)(=O)O)c34)c2)cc1S(=O)(=O)Nc1cccc2c(O)ccc(S(=O)(=O)O)c12

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 18/20 0.53
▸ MEN1 O00255 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ G6PD P11413 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ IDH2 P48735 1/20 0.49

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
SCHEMBL10823729 0.96 MEN1 (0.55) IDH1MEN1GAAG6PDKMT2A
SCHEMBL10823474 0.88 IDH1 (0.53) IDH1MEN1GAAG6PDKMT2A
SCHEMBL11346722 0.84 RECQL (0.52) IDH1MEN1GAAKMT2A
SCHEMBL10823552 0.84 MEN1 (0.51) IDH1MEN1KMT2A
SCHEMBL10823362 0.84 MEN1 (0.46) MEN1GAAKMT2A
SCHEMBL10823398 0.83 IDH1 (0.54) IDH1IDH2
SCHEMBL10823411 0.82 IDH1 (0.55) IDH1IDH2
SCHEMBL10823528 0.82 IDH1 (0.54) IDH1MEN1GAAG6PDKMT2A
SCHEMBL10823432 0.81 IDH1 (0.59) IDH1
SCHEMBL10823659 0.81 IDH1 (0.53) IDH1MEN1GAAG6PDKMT2A

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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