SCHEMBL13316635

SCHEMBL13316635

CCOC(=O)c1cc(CCOC2CCCCO2)c2ncc(Cc3cccc(Cl)c3F)cn2c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 5/20 0.36
PDE3A Q14432 5/20 0.36
KDM4C Q9H3R0 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
P2RY12 Q9H244 1/20 0.34
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 4/20 0.34
HSD17B10 Q99714 3/20 0.34
HPGD P15428 3/20 0.34
CASP1 P29466 2/20 0.34
CASP7 P55210 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
USP2 O75604 1/20 0.34
GAA P10253 1/20 0.34
CMA1 P23946 3/20 0.33
MDM4 O15151 2/20 0.33
MDM2 Q00987 2/20 0.33
TP53 P04637 2/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL3624007 0.89 PDE3B (0.37) PDE3BPDE3AKDM4EALDH1A1HPGD
SCHEMBL13316636 0.83 PDE3B (0.40) PDE3BPDE3AKDM4EALDH1A1HSD17B10
SCHEMBL13316637 0.77 METTL3 (0.33) PDE3BPDE3AKDM4EALDH1A1HSD17B10
SCHEMBL3620368 0.71 PDE3B (0.43) PDE3BPDE3AKDM4EALDH1A1HSD17B10
SCHEMBL3621739 0.71 METTL3 (0.38) KDM4EALDH1A1TP53MRGPRX4
SCHEMBL3627969 0.70 PDE3B (0.41) PDE3BPDE3AKDM4EALDH1A1HSD17B10
SCHEMBL13316622 0.69 PDE3B (0.41) PDE3BPDE3AKDM4EALDH1A1HSD17B10
SCHEMBL13316642 0.69 PDE3B (0.38) PDE3BPDE3AL3MBTL1KDM4EALDH1A1
SCHEMBL1048227 0.69 METTL3 (0.50) PDE3BPDE3AL3MBTL1KDM4EALDH1A1
SCHEMBL1050745 0.69 METTL3 (0.50) PDE3BPDE3AL3MBTL1KDM4EALDH1A1

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