SCHEMBL10823581

SCHEMBL10823581

Cc1ccc(NC(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccc(S(=O)(=O)O)c4cc(O)ccc34)c2)cc1S(=O)(=O)Nc1ccc(S(=O)(=O)O)c2cc(O)ccc12

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 18/20 0.53
▸ IDH2 P48735 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ G6PD P11413 1/20 0.48
▸ KMT2A Q03164 1/20 0.48

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
SCHEMBL10823589 0.96 IDH1 (0.53) IDH1IDH2
SCHEMBL10823696 0.84 TIMP3 (0.47) MEN1GAAKMT2A
SCHEMBL10823432 0.83 IDH1 (0.59) IDH1
SCHEMBL10823686 0.83 IDH1 (0.52) IDH1IDH2
SCHEMBL11336058 0.83 TIMP3 (0.46) IDH1MEN1GAAKMT2A
SCHEMBL10823363 0.82 IDH1 (0.58) IDH1IDH2
SCHEMBL10823494 0.82 IDH1 (0.54) IDH1IDH2
SCHEMBL10823584 0.82 MEN1 (0.56) IDH1MEN1GAAG6PDKMT2A
SCHEMBL10823352 0.81 PTGES (0.41) IDH1MEN1GAAG6PDKMT2A
SCHEMBL10823421 0.81 MEN1 (0.48) IDH1MEN1KMT2A

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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