SCHEMBL11956944

SCHEMBL11956944

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 5/20 0.36
▸ METTL3 Q86U44 1/20 0.35
▸ PKM P14618 1/20 0.34
▸ PCSK9 Q8NBP7 1/20 0.33
▸ CD38 P28907 1/20 0.32
▸ P2RX7 Q99572 1/20 0.32
▸ MPO P05164 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ CFD P00746 1/20 0.31
▸ KDM1A O60341 1/20 0.31
▸ MAPT P10636 1/20 0.30
▸ MDM4 O15151 1/20 0.30
▸ MDM2 Q00987 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
SCHEMBL11956951 0.87 METTL3 (0.34) SLC22A12METTL3PKMPCSK9P2RX7
SCHEMBL13862214 0.87 ALDH1A1 (0.37) METTL3PCSK9MPOCFD
SCHEMBL1046140 0.87 METTL3 (0.44) METTL3THRBCFDMAPT
SCHEMBL11956461 0.87 METTL3 (0.34) SLC22A12METTL3PKMPCSK9P2RX7
SCHEMBL3246472 0.84 METTL3 (0.39) SLC22A12METTL3CFDMAPT
SCHEMBL11956884 0.82 MAPT (0.37) SLC22A12PKMP2RX7MAPT
SCHEMBL11956919 0.79 METTL3 (0.43) SLC22A12METTL3PKMPCSK9P2RX7
SCHEMBL1042873 0.78 METTL3 (0.45) METTL3CFDMAPT
SCHEMBL3245181 0.76 METTL3 (0.40) SLC22A12METTL3PCSK9P2RX7CFD
SCHEMBL11956950 0.76 ALDH1A1 (0.30) —

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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