SCHEMBL10823584

SCHEMBL10823584

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

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ GAA P10253 1/20 0.56
▸ G6PD P11413 1/20 0.56
▸ IDH1 O75874 17/20 0.52
▸ PRMT1 Q99873 1/20 0.49
▸ MAP1LC3B Q9GZQ8 1/20 0.47

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
SCHEMBL10823392 0.97 MEN1 (0.54) MEN1KMT2AGAAG6PDIDH1
SCHEMBL10823659 0.86 IDH1 (0.53) MEN1KMT2AGAAG6PDIDH1
SCHEMBL10823694 0.85 PRMT1 (0.53) MEN1KMT2AGAAPRMT1
SCHEMBL10823604 0.84 ENPP2 (0.53) IDH1PRMT1
SCHEMBL10823728 0.84 IDH1 (0.53) IDH1PRMT1
SCHEMBL10823767 0.83 PRMT1 (0.55) IDH1PRMT1
SCHEMBL10823504 0.82 PRMT1 (0.54) IDH1PRMT1
SCHEMBL11338874 0.82 PRMT1 (0.50) MEN1KMT2APRMT1
SCHEMBL10823606 0.82 PRMT1 (0.66) IDH1PRMT1
SCHEMBL10823581 0.82 IDH1 (0.53) MEN1KMT2AGAAG6PDIDH1

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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