SCHEMBL7362871

SCHEMBL7362871

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

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 10/20 0.57
PDE4A P27815 10/20 0.54
PDE4C Q08493 6/20 0.54
PDE4B Q07343 3/20 0.54
MAPT P10636 2/20 0.51
HPGD P15428 1/20 0.51
IDO1 P14902 1/20 0.49
GUSB P08236 1/20 0.46
TOP1 P11387 1/20 0.46
LMNA P02545 2/20 0.45
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
MEN1 O00255 1/20 0.44
ELANE P08246 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL7366219 0.91 PDE4D (0.58) PDE4DPDE4APDE4CPDE4BMAPT
SCHEMBL7362558 0.80 KMT2A (0.51) MAPTIDO1LMNAMEN1KMT2A
SCHEMBL7362865 0.80 ALDH1A1 (0.51) MAPTIDO1LMNAMEN1KMT2A
SCHEMBL7370628 0.80 PDE4A (0.52) PDE4DPDE4APDE4CPDE4BMAPT
SCHEMBL1249841 0.80 AURKA (0.54) PDE4DPDE4APDE4CPDE4BMAPT
SCHEMBL7366347 0.80 PARP1 (0.46) PDE4DPDE4APDE4CPDE4BMAPT
SCHEMBL1251253 0.79 NPSR1 (0.67) MAPTHPGDIDO1MEN1KMT2A
SCHEMBL5378145 0.78 MAPT (0.81) PDE4DPDE4APDE4CMAPTHPGD
SCHEMBL1252689 0.77 PARP1 (0.43) PDE4DPDE4APDE4CPDE4BMAPT
SCHEMBL9169239 0.77 PIM1 (0.55) MAPTLMNA

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