SCHEMBL11948688

SCHEMBL11948688

COc1cc2c(cc1Cc1cccc(Cl)c1F)c(=O)c(C(C)=O)cn2[C@@H](C)CO

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.75
▸ GAA P10253 1/20 0.39
▸ EGFR P00533 7/20 0.38
▸ MAPT P10636 2/20 0.38
▸ CFD P00746 6/20 0.37
▸ PLA2G4A P47712 2/20 0.37
▸ TP53 P04637 1/20 0.36

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
SCHEMBL1044579 0.93 METTL3 (0.86) METTL3GAAEGFRMAPTPLA2G4A
SCHEMBL1044577 0.93 METTL3 (0.86) METTL3GAAEGFRMAPTPLA2G4A
SCHEMBL19829420 0.92 METTL3 (0.88) METTL3GAAEGFRMAPTCFD
SCHEMBL1104875 0.92 METTL3 (0.88) METTL3GAAEGFRMAPTCFD
SCHEMBL11948687 0.91 METTL3 (0.69) METTL3GAAEGFRMAPTCFD
SCHEMBL11948686 0.90 METTL3 (0.76) METTL3GAAEGFRMAPTCFD
SCHEMBL13596336 0.89 METTL3 (0.77) METTL3GAAEGFRMAPTCFD
SCHEMBL3245215 0.89 METTL3 (0.71) METTL3GAAEGFRMAPTPLA2G4A
SCHEMBL11948675 0.88 METTL3 (0.75) METTL3GAAMAPTCFDPLA2G4A
SCHEMBL13693054 0.86 METTL3 (0.86) METTL3GAAEGFRMAPTPLA2G4A

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-8232401-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) 2012-07-31 — — US disclosed
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