SCHEMBL9267049

SCHEMBL9267049

COc1ccc(-c2ccc(N)nn2)cc1OC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.43
PDE4B Q07343 3/20 0.43
PDE4C Q08493 3/20 0.43
PDE4D Q08499 3/20 0.43
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
FPR2 P25090 2/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
BRD4 O60885 1/20 0.40
MAPT P10636 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GAK O14976 1/20 0.39
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39

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
SCHEMBL9271648 0.94 SMN1; SMN2 (0.43) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL1752782 0.88 ALDH1A1 (0.50) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL9271875 0.86 PDE4D (0.44) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9186261 0.83 PDE4B (0.43) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9264673 0.82 MAPT (0.44) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9257719 0.82 XDH (0.53) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL9264413 0.82 SMN1; SMN2 (0.57) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9263478 0.80 XDH (0.59) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL9325535 0.78 FPR2 (0.47) PDE4BFPR2ALDH1A1MAPTMEN1
SCHEMBL9183215 0.77 SMN1; SMN2 (0.43) PDE4APDE4BPDE4CPDE4DPDE3B

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