SCHEMBL13316637

SCHEMBL13316637

C[Si](C)(C)CCOC(=O)c1cc(CCO)c2ncc(Cc3cccc(Cl)c3F)cn2c1=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
METTL3 Q86U44 1/20 0.33
KLKB1 P03952 2/20 0.32
PDE3B Q13370 3/20 0.31
PDE3A Q14432 3/20 0.31
CFD P00746 1/20 0.31
PCSK9 Q8NBP7 1/20 0.31
MAPT P10636 1/20 0.31
TP53 P04637 1/20 0.31
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL13316636 0.90 PDE3B (0.40) PDE3BPDE3ATP53KDM4EUSP2
SCHEMBL3621739 0.84 METTL3 (0.38) METTL3PCSK9MAPTTP53KDM4E
SCHEMBL13349670 0.78 PCSK9 (0.33) METTL3PCSK9ALDH1A1
SCHEMBL13316635 0.77 PDE3B (0.36) PDE3BPDE3ATP53KDM4EUSP2
SCHEMBL3627969 0.76 PDE3B (0.41) METTL3PDE3BPDE3AMAPTKDM4E
SCHEMBL3620368 0.70 PDE3B (0.43) PDE3BPDE3AMAPTKDM4EUSP2
SCHEMBL3623959 0.70 METTL3 (0.41) METTL3CFD
SCHEMBL13316623 0.69 METTL3 (0.40) METTL3KLKB1PDE3BPDE3ACFD
SCHEMBL13316622 0.69 PDE3B (0.41) PDE3BPDE3AKDM4EUSP2ALDH1A1
SCHEMBL13349668 0.68

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-7745459-B2 Quinolizinone compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2010-06-29 US disclosed