SCHEMBL13862190

SCHEMBL13862190

CN(C)c1cc(Cc2cccc(Cl)c2F)cc2c(=O)c(C=O)cn(CCO)c12

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ METTL3 Q86U44 1/20 0.33
▸ PCSK9 Q8NBP7 1/20 0.31
▸ LMNA P02545 1/20 0.31

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
SCHEMBL13862191 0.90 — —
SCHEMBL11956951 0.88 METTL3 (0.34) METTL3PCSK9
SCHEMBL13862214 0.86 ALDH1A1 (0.37) CFDALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL1045267 0.86 METTL3 (0.44) CFDHTTMETTL3LMNA
SCHEMBL13862197 0.85 ALDH1A1 (0.34) CFDALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL3241137 0.84 METTL3 (0.40) METTL3PCSK9
SCHEMBL13862196 0.81 ALDH1A1 (0.36) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL1044601 0.79 METTL3 (0.43) CFDALDH1A1HTTMETTL3LMNA
SCHEMBL3235225 0.77 METTL3 (0.39) METTL3
SCHEMBL13862215 0.76 ALDH1A1 (0.43) CFDALDH1A1HTTSMN1; SMN2MEN1

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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