SCHEMBL7272372

SCHEMBL7272372

Cc1ccc(-n2c(=O)c([N+](=O)[O-])c(O)c3cccnc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
CYP2C9 P11712 2/20 0.44
CYP1A2 P05177 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 4/20 0.44
FEN1 P39748 1/20 0.41
KAT2B Q92831 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
MAPT P10636 5/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP3A4 P08684 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 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
SCHEMBL7279582 0.89 FEN1 (0.53) ALDH1A1CYP2C19HTTFEN1PDE4A
SCHEMBL7281424 0.87 PKM (0.49) ALDH1A1HPGDHTTKAT2BMAPT
SCHEMBL7272450 0.87 ALDH1A1 (0.47) ALDH1A1HPGDHTTFEN1PDE4A
SCHEMBL7271437 0.86 ALDH1A1 (0.45) ALDH1A1CYP2C9CYP1A2HPGDCYP2C19
SCHEMBL7272901 0.81 PDE4A (0.48) ALDH1A1CYP1A2HPGDCYP2C19HTT
SCHEMBL7282270 0.81 KAT2B (0.47) ALDH1A1HPGDHTTKAT2BPDE4A
SCHEMBL30541541 0.80 FEN1 (0.50) ALDH1A1CYP2C9CYP2C19HTTFEN1
SCHEMBL11371962 0.80 FEN1 (0.50) ALDH1A1CYP2C9CYP2C19HTTFEN1
SCHEMBL11365339 0.79 FEN1 (0.49) ALDH1A1CYP2C9CYP2C19HTTFEN1
SCHEMBL11365344 0.79 FEN1 (0.49) ALDH1A1HTTFEN1PDE4DMAPT

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
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
US-5364859-A Antiinflammatory agents, antiallergens, bronchodilators KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-11-15 US disclosed
EP-0459505-A1 Imidazonaphthyridine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1991-12-04 EP disclosed