SCHEMBL10823392

SCHEMBL10823392

Cc1ccc(NC(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccc(O)c4ccc(S(=O)(=O)O)cc34)c2)cc1S(=O)(=O)Nc1ccc(O)c2ccc(S(=O)(=O)O)cc12

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ G6PD P11413 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ IDH1 O75874 18/20 0.53
▸ PRMT1 Q99873 1/20 0.50

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 0.97 MEN1 (0.56) MEN1GAAG6PDKMT2AIDH1
SCHEMBL10823604 0.85 ENPP2 (0.53) IDH1PRMT1
SCHEMBL10823728 0.85 IDH1 (0.53) IDH1PRMT1
SCHEMBL10823767 0.84 PRMT1 (0.55) IDH1PRMT1
SCHEMBL10823779 0.83 EP300 (0.49) MEN1GAAG6PDKMT2AIDH1
SCHEMBL10823659 0.83 IDH1 (0.53) MEN1GAAG6PDKMT2AIDH1
SCHEMBL10823504 0.83 PRMT1 (0.54) IDH1PRMT1
SCHEMBL10823589 0.83 IDH1 (0.53) IDH1
SCHEMBL10823606 0.83 PRMT1 (0.66) IDH1PRMT1
SCHEMBL10823723 0.82 PRMT1 (0.52) MEN1KMT2APRMT1

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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