SCHEMBL10378895

SCHEMBL10378895

Cc1[nH]c(=O)ccc1C(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.50
▸ TDP1 Q9NUW8 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ SRD5A2 P31213 2/20 0.49
▸ LMNA P02545 2/20 0.48
▸ GAA P10253 2/20 0.47
▸ MAPK1 P28482 4/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ CES1 P23141 1/20 0.46
▸ POLB P06746 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ CA1 P00915 2/20 0.45
▸ CA2 P00918 2/20 0.45
▸ TSHR P16473 1/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CTDSP1 Q9GZU7 1/20 0.42

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
SCHEMBL10680841 0.82 MAPK1 (0.45) MAPTTDP1ALDH1A1SRD5A2LMNA
SCHEMBL10377556 0.81 ALDH1A1 (0.52) MAPTTDP1ALDH1A1SRD5A2LMNA
SCHEMBL10378565 0.80 MAPT (0.47) MAPTTDP1ALDH1A1SRD5A2LMNA
SCHEMBL10378571 0.78 NR4A1 (0.45) MAPTSRD5A2GAAMAPK1CES1
SCHEMBL10377589 0.78 MAPT (0.46) MAPTLMNAMAPK1CES1HTT
SCHEMBL10377706 0.77 SRD5A2 (0.40) MAPTTDP1ALDH1A1SRD5A2LMNA
SCHEMBL10377570 0.77 SRD5A2 (0.40) MAPTTDP1ALDH1A1SRD5A2LMNA
SCHEMBL10377417 0.76 NPC1 (0.54) MAPTALDH1A1LMNAGAAMAPK1
SCHEMBL10377414 0.76 PLK1 (0.45) MAPTTDP1ALDH1A1SRD5A2LMNA
SCHEMBL10920493 0.75 PDE4A (0.60) MAPTTDP1ALDH1A1SRD5A2LMNA

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
US-4560691-A 5-(Phenyl)-1,6-naphthyridin-2(1H)-ones, their cardiotonic use and preparation STERLING DRUG INC. (US) 1985-12-24 — — US claimed
EP-0168037-B1 1-6-NAPHTHYRIDIN-2(1H)-ONES USEFUL AS CARDIOTONICS STERLING DRUG INC. (US) 1990-02-07 — — EP disclosed
EP-0168037-A2 1-6-Naphthyridin-2(1H)-ones useful as cardiotonics STERLING DRUG INC. (US) 1986-01-15 — — EP disclosed
US-4560691-A 5-(Phenyl)-1,6-naphthyridin-2(1H)-ones, their cardiotonic use and preparation STERLING DRUG INC. (US) 1985-12-24 — — US disclosed
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