SCHEMBL7909583

SCHEMBL7909583

CCCc1cc2c(C(=O)Nc3ccncc3)ccc(OC)c2o1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 10/20 0.70
PDE4B Q07343 10/20 0.70
PDE4C Q08493 10/20 0.70
PDE4D Q08499 10/20 0.70
KCNMA1 Q12791 1/20 0.51
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PDE10A Q9Y233 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
PKM P14618 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 1/20 0.47
JAK2 O60674 2/20 0.46
TYK2 P29597 1/20 0.46

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
SCHEMBL5722732 0.81 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DKCNMA1
SCHEMBL6948894 0.81 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DKCNMA1
SCHEMBL5722927 0.77 PDE4D (0.82) PDE4APDE4BPDE4CPDE4D
SCHEMBL5722709 0.76 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DKCNMA1
SCHEMBL5723223 0.76 PDE4D (0.47) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7054247 0.76 PDE4A (0.65) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL5723221 0.75 PDE4D (0.46) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL13210698 0.75 KCNMA1 (0.74) PDE4APDE4BPDE4CPDE4DKCNMA1
SCHEMBL14322300 0.74 S1PR1 (0.68) PDE4APDE4BPDE4CPDE4DKCNMA1
SCHEMBL5023240 0.74 PDE4B (0.63) PDE4APDE4BPDE4CPDE4DKCNMA1

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
US-6211203-B1 RESPIRATORY SYSTEM DISORDERS, ANTIINFLAMMATORY AGENTS, ENZYME INHIBITORS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2001-04-03 US disclosed