SCHEMBL6597409

SCHEMBL6597409

COc1cc(OC)c(OC)cc1/C=C/c1cc(C(F)(F)F)nc(=O)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.44
PDE3A Q14432 3/20 0.44
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
HMGCR P04035 1/20 0.40
CYP3A4 P08684 1/20 0.40
NFE2L2 Q16236 1/20 0.39
CYP1A1 P04798 3/20 0.38
CYP1B1 Q16678 3/20 0.38
CYP1A2 P05177 2/20 0.38
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL6597415 1.00 PDE3B (0.44) PDE3BPDE3AKDM4EALDH1A1MAPT
SCHEMBL6661728 0.83 TNF (0.39) PDE3BPDE3AKDM4EALDH1A1MAPT
SCHEMBL6664825 0.83 TNF (0.39) PDE3BPDE3AKDM4EALDH1A1MAPT
SCHEMBL6589679 0.81 KDM4E (0.63) PDE3BPDE3AKDM4EALDH1A1MAPT
SCHEMBL6589681 0.81 KDM4E (0.63) PDE3BPDE3AKDM4EALDH1A1MAPT
SCHEMBL6692166 0.80 KMT2A (0.39) PDE3BPDE3AKDM4EALDH1A1MAPT
SCHEMBL6593976 0.77 TNF (0.35) PDE3BPDE3AKDM4EALDH1A1MAPT
SCHEMBL6593981 0.77 TNF (0.35) PDE3BPDE3AKDM4EALDH1A1MAPT
SCHEMBL6665608 0.76 KDM4E (0.55) PDE3BPDE3AKDM4EALDH1A1MAPT
SCHEMBL6665807 0.76 KDM4E (0.55) PDE3BPDE3AKDM4EALDH1A1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1389461-A1 Pyrimidones with antiviral properties Axxima Pharmaceuticals Aktiengesellschaft (DE) 2004-02-18 EP claimed
WO-2004016271-A1 PYRIMIDONES AS ANTIVIRAL AGENTS AXXIMA PHARMACEUTICALS AG (DE) 2004-02-26 WO disclosed
EP-1389461-A1 Pyrimidones with antiviral properties Axxima Pharmaceuticals Aktiengesellschaft (DE) 2004-02-18 EP disclosed