SCHEMBL7366174

SCHEMBL7366174

COC(=O)c1cc(-c2nn(Cc3cc[n+]([O-])cc3)c(=O)c3cccnc23)ccc1C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.49
PDE4B Q07343 4/20 0.49
PDE4C Q08493 4/20 0.49
PDE4D Q08499 4/20 0.49
PDE3B Q13370 1/20 0.49
PDE3A Q14432 1/20 0.49
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 2/20 0.36
METAP2 P50579 1/20 0.36
RORC P51449 1/20 0.35
GAA P10253 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL7370274 0.90 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7365395 0.90 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7369998 0.87 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7370625 0.86 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7365735 0.85 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7359750 0.83 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7366444 0.82 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7366365 0.82 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7370523 0.82 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9379010 0.82 PDE4A (0.53) 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 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