SCHEMBL13862192

SCHEMBL13862192

CC(C)(C)[C@@H](CO)n1cc(C=O)c(=O)c2cc(Cc3cccc(Cl)c3F)ccc21

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.43
▸ CFD P00746 3/20 0.35
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL11956108 0.88 METTL3 (0.44) METTL3CFD
SCHEMBL13862208 0.88 METTL3 (0.48) METTL3CFDMEN1ALDH1A1HTT
SCHEMBL1045211 0.86 METTL3 (0.58) METTL3CFDHTT
SCHEMBL1045210 0.86 METTL3 (0.58) METTL3CFDHTT
SCHEMBL3239826 0.84 METTL3 (0.50) METTL3CFDALDH1A1
SCHEMBL13862204 0.83 METTL3 (0.54) METTL3CFD
SCHEMBL25726683 0.83 METTL3 (0.49) METTL3CFDALDH1A1
SCHEMBL4371645 0.78 METTL3 (0.53) METTL3CFDMEN1ALDH1A1HTT
SCHEMBL4372214 0.78 METTL3 (0.53) METTL3CFDHTT
SCHEMBL13607959 0.76 METTL3 (0.61) METTL3CFDMEN1ALDH1A1HTT

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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