SCHEMBL10823686

SCHEMBL10823686

Cc1ccc(NC(=O)Nc2ccc(C)c(S(=O)(=O)Nc3cc(S(=O)(=O)O)cc4ccc(O)cc34)c2)cc1S(=O)(=O)Nc1cc(S(=O)(=O)O)cc2ccc(O)cc12

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 17/20 0.52
▸ PRMT1 Q99873 1/20 0.48
▸ IDH2 P48735 1/20 0.47
▸ PTGES O14684 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
SCHEMBL10823755 0.92 PRMT1 (0.54) IDH1PRMT1IDH2
SCHEMBL10823363 0.87 IDH1 (0.58) IDH1IDH2
SCHEMBL10823604 0.83 ENPP2 (0.53) IDH1PRMT1
SCHEMBL10823504 0.83 PRMT1 (0.54) IDH1PRMT1
SCHEMBL10823660 0.83 IDH1 (0.53) IDH1IDH2
SCHEMBL10823581 0.83 IDH1 (0.53) IDH1IDH2
SCHEMBL10823589 0.83 IDH1 (0.53) IDH1IDH2
SCHEMBL10823599 0.83 PRMT1 (0.59) IDH1PRMT1
SCHEMBL11417274 0.82 PRMT1 (0.49) PRMT1
SCHEMBL10823767 0.82 PRMT1 (0.55) IDH1PRMT1IDH2

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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