SCHEMBL7400096

SCHEMBL7400096

COC(=O)c1ccc(C2=NC3CCCCC3c3cc(OC)c(OC)cc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 11/20 0.50
PDE4B Q07343 10/20 0.50
PDE4A P27815 4/20 0.50
PDE4C Q08493 4/20 0.50
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL5057946 1.00 PDE4D (0.50) PDE4DPDE4BPDE4APDE4CMEN1
SCHEMBL5056368 1.00 PDE4D (0.50) PDE4DPDE4BPDE4APDE4CMEN1
SCHEMBL7205164 1.00 PDE4D (0.50) PDE4DPDE4BPDE4APDE4CMEN1
SCHEMBL7960463 0.92 PDE4D (0.47) PDE4DPDE4BPDE4APDE4CMEN1
SCHEMBL2881473 0.91 PDE4D (0.51) PDE4DPDE4BPDE4APDE4CATM
SCHEMBL2881474 0.91 PDE4D (0.51) PDE4DPDE4BPDE4APDE4CATM
SCHEMBL2881470 0.91 PDE4D (0.51) PDE4DPDE4BPDE4APDE4CATM
SCHEMBL2887001 0.90 PDE4D (0.51) PDE4DPDE4BPDE4APDE4CMEN1
Hydrochloric Acid SCHEMBL2887518 0.90 PDE4D (0.51) PDE4DPDE4BPDE4APDE4CATM
Hydrochloric Acid SCHEMBL2887521 0.90 PDE4D (0.51) PDE4DPDE4BPDE4APDE4CATM

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
WO-2002006239-A1 PHENANTHRIDINE N-OXIDES ALTANA PHARMA AG (DE) 2002-01-24 WO disclosed
US-6191138-B1 THERAPY FOR RESPIRATORY SYSTEM DISORDERS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2001-02-20 US disclosed