SCHEMBL13316622

SCHEMBL13316622

CCOC(=O)c1cc(CN)c2ccc(Cc3cccc(Cl)c3F)cn2c1=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 10/20 0.41
PDE3A Q14432 10/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 2/20 0.41
GLA P06280 1/20 0.41
CMA1 P23946 2/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
KMT2A Q03164 1/20 0.36
USP2 O75604 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36

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
SCHEMBL3620368 0.94 PDE3B (0.43) PDE3BPDE3AKDM4EALDH1A1GAA
SCHEMBL13316644 0.90 PDE3B (0.41) PDE3BPDE3AKDM4EALDH1A1GAA
SCHEMBL3627969 0.90 PDE3B (0.41) PDE3BPDE3AKDM4EALDH1A1GAA
SCHEMBL13316621 0.89 PDE3B (0.40) PDE3BPDE3AKDM4EALDH1A1GAA
SCHEMBL13316686 0.87 METTL3 (0.40) CMA1MRGPRX4
SCHEMBL13316642 0.86 PDE3B (0.38) PDE3BPDE3AKDM4EALDH1A1GAA
Hydrochloric Acid SCHEMBL3626742 0.86 METTL3 (0.39) CMA1MRGPRX4
SCHEMBL13316648 0.86 PDE3B (0.38) PDE3BPDE3AKDM4EALDH1A1GAA
SCHEMBL13316646 0.84 CFD (0.37) PDE3BPDE3AKDM4EALDH1A1GAA
SCHEMBL13316657 0.84 MRGPRX4 (0.39) PDE3BPDE3AKDM4EALDH1A1GAA

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