SCHEMBL13862207

SCHEMBL13862207

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

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.64
▸ PLA2G4A P47712 3/20 0.35
▸ EGFR P00533 8/20 0.34
▸ GAA P10253 2/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 2/20 0.33

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
SCHEMBL11956939 0.92 METTL3 (0.56) METTL3
SCHEMBL11957090 0.89 METTL3 (0.50) METTL3
SCHEMBL1046249 0.89 METTL3 (0.81) METTL3PLA2G4AEGFRGAATP53
SCHEMBL1046251 0.89 METTL3 (0.81) METTL3PLA2G4AEGFRGAATP53
SCHEMBL26076850 0.89 METTL3 (0.80) METTL3PLA2G4AEGFRGAACNR2
SCHEMBL3232336 0.88 METTL3 (0.67) METTL3PLA2G4AEGFRGAATP53
SCHEMBL25726695 0.88 METTL3 (0.69) METTL3PLA2G4AEGFRGAATP53
SCHEMBL11956108 0.84 METTL3 (0.44) METTL3TP53MAPT
SCHEMBL12107653 0.83 METTL3 (0.46) METTL3EGFRCNR2TP53
SCHEMBL4371074 0.83 METTL3 (0.74) METTL3PLA2G4AEGFRGAATP53

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
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