SCHEMBL10823659

SCHEMBL10823659

Cc1ccc(NC(=O)Nc2ccc(C)c(S(=O)(=O)Nc3cc(S(=O)(=O)O)cc4c(O)cccc34)c2)cc1S(=O)(=O)Nc1cc(S(=O)(=O)O)cc2c(O)cccc12

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
SCHEMBL10823584 0.86 MEN1 (0.56) IDH1MEN1GAAG6PDKMT2A
SCHEMBL10823395 0.84 IDH1 (0.53) IDH1IDH2
SCHEMBL10823528 0.84 IDH1 (0.54) IDH1MEN1GAAG6PDKMT2A
SCHEMBL10823392 0.83 MEN1 (0.54) IDH1MEN1GAAG6PDKMT2A
SCHEMBL10823556 0.83 IDH1 (0.55) IDH1MEN1GAAG6PDKMT2A
SCHEMBL10823495 0.82 IDH1 (0.56) IDH1MEN1GAAG6PDKMT2A
SCHEMBL10823686 0.81 IDH1 (0.52) IDH1IDH2
SCHEMBL10823755 0.81 PRMT1 (0.54) IDH1IDH2
SCHEMBL10823729 0.81 MEN1 (0.55) IDH1MEN1GAAG6PDKMT2A
SCHEMBL10823549 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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