SCHEMBL7370858

SCHEMBL7370858

O=C(O)c1cccnc1-c1ccc(CO)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
TDP1 Q9NUW8 1/20 0.48
TRPV1 Q8NER1 2/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CASP1 P29466 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 3/20 0.40
CYP1A2 P05177 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
ELANE P08246 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CTSB P07858 2/20 0.39

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
SCHEMBL7365920 0.83 KDM4E (0.57) KDM4ETDP1ALDH1A1CYP2C9MAPT
SCHEMBL7363321 0.80 KDM4E (0.53) KDM4ETDP1ALDH1A1MAPTMEN1
SCHEMBL7365259 0.80 TDP1 (0.53) KDM4ETDP1ALDH1A1CYP2D6CYP2C9
SCHEMBL9375005 0.78 KDM4E (0.50) KDM4ETDP1TRPV1ALDH1A1CYP2C9
SCHEMBL7365358 0.77 KDM4E (0.49) KDM4ETDP1ALDH1A1CYP2C9HIF1A
SCHEMBL4906930 0.76 TDP1 (0.59) KDM4ETDP1ALDH1A1MAPTPDE4A
SCHEMBL4906925 0.76 TDP1 (0.59) KDM4ETDP1ALDH1A1MAPTPDE4A
SCHEMBL7362876 0.76 KDM4E (0.48) KDM4ETDP1TRPV1ALDH1A1MEN1
SCHEMBL10768030 0.76 PDE4D (0.60) KDM4ETDP1ALDH1A1MAPTPDE4A
SCHEMBL7273341 0.76 PDE4D (0.60) KDM4ETDP1ALDH1A1MAPTPDE4A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1045962-C Pyridopyridazinone or pyridinopyridazinethione compounds, intermediates for their preparation, pharmaceutical compositions containing them and their use SYNTEX INC (US) 1999-10-27 CN disclosed
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