SCHEMBL7271125

SCHEMBL7271125

O=c1c2c(ncn2Cc2ccc([N+](=O)[O-])cc2)c2cccnc2n1-c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 9/20 0.79
PDE4B Q07343 6/20 0.64
PDE4C Q08493 6/20 0.64
PDE4D Q08499 6/20 0.64
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 2/20 0.47
SLC29A1 Q99808 3/20 0.46
ADORA2A P29274 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
PDE1A P54750 1/20 0.44
PDE1B Q01064 1/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 1/20 0.41
HTT P42858 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
SCHEMBL7270989 0.90 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL7272788 0.89 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7281912 0.87 PDE4A (0.87) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL7279910 0.86 PDE4A (0.85) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7271255 0.86 PDE4A (0.85) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7281463 0.83 PDE4A (0.80) PDE4APDE4BPDE4CPDE4DPTGDR2
SCHEMBL29416766 0.82 PDE4A (0.85) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7271311 0.82 PDE4A (0.85) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL2278414 0.82 PDE4A (0.85) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7280079 0.81 PDE4A (0.84) PDE4APDE4BPDE4CPDE4DMEN1

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-0459505-B1 Imidazonaphthyridine derivatives KYOWA HAKKO KOGYO KK (JP) 1996-10-02 EP disclosed
US-5536730-A ANTIINFLAMMATORY, ANTIALLERGIC AND BRONCHODILATIVE ACTIVITY KYOWA HAKKO KOGYO CO. LTD. (JP) 1996-07-16 US disclosed
US-5468756-A Antiinflammatory, antiallergen KYOWA HAKKO KOGYO CO., LTD. (JP) 1995-11-21 US disclosed
EP-0459505-A1 Imidazonaphthyridine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1991-12-04 EP disclosed