SCHEMBL13862218

SCHEMBL13862218

CC[C@@H](CO)n1cc(C=O)c(=O)c2cc(Cc3cccc(I)c3F)c(OC)cc21

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.48
▸ MAPT P10636 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ PLA2G4A P47712 1/20 0.31
▸ TP53 P04637 2/20 0.30

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
SCHEMBL12957311 0.83 METTL3 (0.43) METTL3MAPTGAATP53
SCHEMBL13862201 0.80 METTL3 (0.43) METTL3
SCHEMBL13862193 0.79 METTL3 (0.47) METTL3
SCHEMBL14611461 0.78 METTL3 (0.64) METTL3MAPTGAAPLA2G4ATP53
SCHEMBL13472097 0.78 METTL3 (0.49) METTL3
SCHEMBL13250854 0.78 METTL3 (0.49) METTL3
SCHEMBL1045839 0.77 METTL3 (0.79) METTL3MAPTGAAPLA2G4ATP53
SCHEMBL1045841 0.77 METTL3 (0.79) METTL3MAPTGAAPLA2G4ATP53
SCHEMBL11948687 0.77 METTL3 (0.69) METTL3MAPTGAAPLA2G4ATP53
SCHEMBL3234873 0.76 METTL3 (0.66) METTL3MAPTGAAPLA2G4ATP53

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-7531554-B2 Useful as an anti-HIV agent that particularly shows an anti-HIV action based on an integrase inhibitory activity; for treatment or prophylaxis of AIDS; for example, 6-(2,3-dichlorobenzyl)-1-(2-hydroxyethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid JAPAN TOBACCO INC. (JP) 2009-05-12 — — US disclosed
Send feedback