SCHEMBL7370628

SCHEMBL7370628

O=c1[nH]nc(-c2cccc(Cl)c2)c2ncccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.52
PDE4C Q08493 3/20 0.52
PDE4D Q08499 3/20 0.52
PDE4B Q07343 1/20 0.52
PDE3B Q13370 1/20 0.52
PDE3A Q14432 1/20 0.52
PARP1 P09874 4/20 0.48
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ATM Q13315 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
RORB Q92753 1/20 0.43

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
SCHEMBL7361843 0.90 PDE4A (0.50) PDE4APDE4CPDE4DPDE4BPDE3B
SCHEMBL1249841 0.84 AURKA (0.54) PDE4APDE4CPDE4DPDE4BPDE3B
SCHEMBL7366347 0.84 PARP1 (0.46) PDE4APDE4CPDE4DPDE4BPARP1
SCHEMBL1251253 0.83 NPSR1 (0.67) PARP1ALDH1A1SMN1; SMN2ATMNPSR1
SCHEMBL1788378 0.83 NPSR1 (0.67) PDE4APDE4CPDE4DPDE4BALDH1A1
SCHEMBL7370355 0.81 PDE4A (0.48) PDE4APDE4CPDE4DPDE4BALDH1A1
SCHEMBL1252689 0.81 PARP1 (0.43) PDE4APDE4CPDE4DPDE4BPARP1
SCHEMBL9169239 0.81 PIM1 (0.55) PARP1ALDH1A1LMNASMN1; SMN2ATM
SCHEMBL7362871 0.80 PDE4D (0.57) PDE4APDE4CPDE4DPDE4BLMNA
SCHEMBL1252788 0.79 IDO1 (0.55) PARP1ATMNPSR1

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 3 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
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