SCHEMBL13316636

SCHEMBL13316636

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 8/20 0.40
PDE3A Q14432 8/20 0.40
KDM4E B2RXH2 8/20 0.38
ALDH1A1 P00352 7/20 0.38
GAA P10253 5/20 0.38
HPGD P15428 5/20 0.38
HSD17B10 Q99714 2/20 0.38
USP2 O75604 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
GLA P06280 4/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
CMA1 P23946 1/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL13316637 0.90 METTL3 (0.33) PDE3BPDE3AKDM4EALDH1A1GAA
SCHEMBL3621739 0.87 METTL3 (0.38) KDM4EALDH1A1MRGPRX4KMT2ATP53
SCHEMBL3627969 0.86 PDE3B (0.41) PDE3BPDE3AKDM4EALDH1A1GAA
SCHEMBL13316635 0.83 PDE3B (0.36) PDE3BPDE3AKDM4EALDH1A1GAA
SCHEMBL13349670 0.80 PCSK9 (0.33) ALDH1A1KMT2ASMN1; SMN2
SCHEMBL3620368 0.80 PDE3B (0.43) PDE3BPDE3AKDM4EALDH1A1GAA
SCHEMBL13316622 0.78 PDE3B (0.41) PDE3BPDE3AKDM4EALDH1A1GAA
SCHEMBL13316644 0.77 PDE3B (0.41) PDE3BPDE3AKDM4EALDH1A1GAA
SCHEMBL3625716 0.77 PDE3B (0.41) PDE3BPDE3AKDM4EALDH1A1GAA
SCHEMBL13316621 0.77 PDE3B (0.40) 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