SCHEMBL7363442

SCHEMBL7363442

O=c1c2ncccc2c(-c2cccc(Cl)c2)nn1Cc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.71
PDE4B Q07343 4/20 0.71
PDE4C Q08493 4/20 0.71
PDE4D Q08499 4/20 0.71
PDE3B Q13370 1/20 0.71
PDE3A Q14432 1/20 0.71
ALDH1A1 P00352 6/20 0.56
NPSR1 Q6W5P4 4/20 0.55
CYP1A2 P05177 3/20 0.55
CYP2C9 P11712 3/20 0.55
CYP2C19 P33261 3/20 0.55
CYP3A4 P08684 2/20 0.55
LMNA P02545 2/20 0.55
CYP2D6 P10635 2/20 0.55
HTT P42858 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.51
ADORA1 P30542 4/20 0.47
ADORA2A P29274 2/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45

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
SCHEMBL8306609 0.92 PDE4A (0.84) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7365957 0.91 PDE4A (0.85) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7369761 0.89 ALDH1A1 (0.70) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7364171 0.88 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7369583 0.88 ALDH1A1 (0.56) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7360186 0.86 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7368044 0.86 ALDH1A1 (0.54) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7363261 0.86 ALDH1A1 (0.77) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7370925 0.85 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7370212 0.84 PDE4A (0.59) 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
EP-0612321-B1 PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX INC (US) 1999-08-25 EP disclosed
US-5716954-A ANTIINFLAMMATORY AGENT, ANTIHISTAMINES, IMMUNOSUPPRESSION,AUTOIMMUNE DISEASES SYNTEX U.S.A. INC. (US) 1998-02-10 US disclosed
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