SCHEMBL9263149

SCHEMBL9263149

Nc1ccc(-c2ccc(OC(F)F)c(OCC(F)(F)F)c2)nn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 10/20 0.39
PDE4A P27815 3/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AAK1 Q2M2I8 3/20 0.39
FEN1 P39748 2/20 0.38
ALOX5AP P20292 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
SCHEMBL9260235 0.86 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL9183643 0.85 PDE4D (0.39) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL9268068 0.84 ALDH1A1 (0.43) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL9324686 0.84 FPR2 (0.46) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL9267064 0.82 PDE4D (0.53) PDE4DPDE4APDE4BPDE4C
SCHEMBL9264413 0.82 SMN1; SMN2 (0.57) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL9265363 0.81 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL9271875 0.81 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL9180422 0.80 PDE4D (0.39) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL9265774 0.79 PDE4D (0.37) PDE4DPDE4APDE4BPDE4CPDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5449676-A Bronchodilator agents BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1995-09-12 US disclosed
EP-0581805-A1 NOVEL PYRIDAZINES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1994-02-09 EP disclosed
WO-1992019602-A1 NOVEL PYRIDAZINES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1992-11-12 WO disclosed
EP-0510562-A1 Pyridazines Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1992-10-28 EP disclosed