SCHEMBL7369501

SCHEMBL7369501

CC(C)n1nc(-c2cccc([N+](=O)[O-])c2)c2ncccc2c1=O

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.63
PDE4D Q08499 12/20 0.63
PDE4C Q08493 7/20 0.63
PDE4B Q07343 3/20 0.63
IDO1 P14902 1/20 0.43
PGR P06401 1/20 0.43
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
TOP1 P11387 1/20 0.42
CFTR P13569 2/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL7360386 0.86 PDE4D (0.58) PDE4APDE4DPDE4CPDE4BPDE3B
SCHEMBL7362749 0.84 PDE4A (0.56) PDE4APDE4DPDE4CPDE4BPDE3B
SCHEMBL7363024 0.83 KMT2A (0.50) PDE4APDE4DPDE4CPDE4BIDO1
SCHEMBL7359713 0.83 PDE4A (0.75) PDE4APDE4DPDE4CPDE4BIDO1
SCHEMBL7369609 0.82 ALDH1A1 (0.46) PDE4APDE4DPDE4CPDE4BIDO1
SCHEMBL8694519 0.82 PDE4A (0.45) PDE4APDE4DPDE4CPDE4BIDO1
SCHEMBL7363890 0.82 PDE4A (0.61) PDE4APDE4DPDE4CPDE4BPGR
SCHEMBL9375241 0.82 PDE4A (0.51) PDE4APDE4DPDE4CPDE4BMAPT
SCHEMBL7361965 0.81 PDE4A (0.51) PDE4APDE4DPDE4CPDE4B
SCHEMBL7362724 0.80 PDE4D (0.63) PDE4APDE4DPDE4CPDE4BIDO1

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
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