SCHEMBL2851971

SCHEMBL2851971

COc1ccc(C2=NC3CCCCC3c3cc(OC)c(OC)cc32)c(OC)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.36
PDE4D Q08499 7/20 0.35
PDE4A P27815 6/20 0.34
PDE4B Q07343 5/20 0.34
PDE4C Q08493 5/20 0.34
FFAR2 O15552 1/20 0.33
MEN1 O00255 1/20 0.32
CHRM1 P11229 1/20 0.32
KMT2A Q03164 1/20 0.32
PDE3A Q14432 1/20 0.32
BRD9 Q9H8M2 2/20 0.31
BRD7 Q9NPI1 2/20 0.31
KCNH2 Q12809 2/20 0.31
PDGFRB P09619 1/20 0.30
PDGFRA P16234 1/20 0.30
TNKS O95271 1/20 0.30
TNKS2 Q9H2K2 1/20 0.30
PLAU P00749 2/20 0.30
CYP1A2 P05177 1/20 0.30
METAP2 P50579 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
SCHEMBL2825675 1.00 ERN1 (0.36) ERN1PDE4DPDE4APDE4BPDE4C
SCHEMBL2851968 1.00 ERN1 (0.36) ERN1PDE4DPDE4APDE4BPDE4C
SCHEMBL2825592 0.93 PDE4D (0.43) ERN1PDE4DPDE4APDE4BPDE4C
SCHEMBL5116011 0.89 PDE4D (0.36) ERN1PDE4DPDE4APDE4BPDE4C
SCHEMBL5124265 0.89 PDE4D (0.36) ERN1PDE4DPDE4APDE4BPDE4C
SCHEMBL2265714 0.85 ERN1 (0.36) ERN1PDE4DPDE4APDE4BPDE4C
SCHEMBL2270155 0.85 ERN1 (0.36) ERN1PDE4DPDE4APDE4BPDE4C
SCHEMBL14696696 0.85 ERN1 (0.36) ERN1PDE4DPDE4APDE4BPDE4C
SCHEMBL2264994 0.85 ERN1 (0.36) ERN1PDE4DPDE4APDE4BPDE4C
SCHEMBL2344026 0.80 PDE4D (0.36) ERN1PDE4DPDE4APDE4BPDE4C

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
EP-1846390-B1 NOVEL 6-PYRIDYLPHENANTHRIDINES NYCOMED GMBH (DE) 2010-03-17 EP disclosed