SCHEMBL13862208

SCHEMBL13862208

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

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.48
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CFD P00746 3/20 0.34

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
SCHEMBL13251711 0.89 METTL3 (0.61) METTL3MEN1ALDH1A1HTTKMT2A
SCHEMBL13607959 0.89 METTL3 (0.61) METTL3MEN1ALDH1A1HTTKMT2A
SCHEMBL13862204 0.88 METTL3 (0.54) METTL3CFD
SCHEMBL11957090 0.88 METTL3 (0.50) METTL3CFD
SCHEMBL13862192 0.88 METTL3 (0.43) METTL3MEN1ALDH1A1HTTKMT2A
SCHEMBL13862193 0.87 METTL3 (0.47) METTL3MEN1ALDH1A1HTTKMT2A
SCHEMBL15082529 0.86 METTL3 (0.65) METTL3HTTCFD
SCHEMBL13862215 0.80 ALDH1A1 (0.43) METTL3MEN1ALDH1A1HTTKMT2A
SCHEMBL13862201 0.78 METTL3 (0.43) METTL3
SCHEMBL13862207 0.78 METTL3 (0.64) METTL3

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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