SCHEMBL7362649

SCHEMBL7362649

CCn1nc(-c2cccc(C(=O)OC)c2)c2ncccc2c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.50
PDE4B Q07343 3/20 0.50
PDE4C Q08493 2/20 0.50
PDE4D Q08499 2/20 0.50
PDE3B Q13370 1/20 0.50
PDE3A Q14432 1/20 0.50
ALDH1A1 P00352 2/20 0.45
TSHR P16473 2/20 0.45
TBXAS1 P24557 1/20 0.45
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPK10 P53779 1/20 0.44
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KAT2B Q92831 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
GRM5 P41594 1/20 0.42
TGFBR1 P36897 1/20 0.42
NEK1 Q96PY6 1/20 0.41
PDE7A Q13946 1/20 0.41

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
SCHEMBL8699836 0.92 TBXAS1 (0.45) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7364707 0.88 HPGD (0.52) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7363086 0.88 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7368670 0.87 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7370625 0.84 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7365735 0.84 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7364396 0.84 ALDH1A1 (0.52) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7371143 0.83 KDM4E (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7365100 0.83 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7363279 0.82 GRM5 (0.48) PDE4APDE4BPDE4CPDE4DALDH1A1

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
EP-0612321-A1 PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1994-08-31 EP disclosed
WO-1993007146-A1 BENZO AND PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1993-04-15 WO disclosed