SCHEMBL11956461

SCHEMBL11956461

Cc1cn(CCO)c2c(N=O)cc(Cc3cccc(Cl)c3F)cc2c1=O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.34
▸ SLC22A12 Q96S37 3/20 0.33
▸ PCSK9 Q8NBP7 1/20 0.33
▸ PKM P14618 1/20 0.31
▸ P2RX7 Q99572 1/20 0.31
▸ KLKB1 P03952 1/20 0.30
▸ TRPM5 Q9NZQ8 1/20 0.30

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
SCHEMBL13862197 0.87 ALDH1A1 (0.34) METTL3PCSK9
SCHEMBL11956944 0.87 SLC22A12 (0.36) METTL3SLC22A12PCSK9PKMP2RX7
SCHEMBL11956951 0.85 METTL3 (0.34) METTL3SLC22A12PCSK9PKMP2RX7
SCHEMBL11956884 0.81 MAPT (0.37) SLC22A12PKMP2RX7
SCHEMBL11956943 0.76 — —
SCHEMBL1042873 0.76 METTL3 (0.45) METTL3
SCHEMBL11956919 0.76 METTL3 (0.43) METTL3SLC22A12PCSK9PKMP2RX7
SCHEMBL3245181 0.74 METTL3 (0.40) METTL3SLC22A12PCSK9P2RX7
SCHEMBL1046140 0.74 METTL3 (0.44) METTL3
SCHEMBL13862214 0.74 ALDH1A1 (0.37) METTL3PCSK9

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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