SCHEMBL7014795

SCHEMBL7014795

COC(=O)c1nc(Cl)nc(N)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 5/20 0.37
PKM P14618 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
COMT P21964 1/20 0.36
RCE1 Q9Y256 1/20 0.35
DCTPP1 Q9H773 1/20 0.34
TDP1 Q9NUW8 3/20 0.34
GAA P10253 2/20 0.34
NPC1 O15118 1/20 0.34
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 3/20 0.33
POLB P06746 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33

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
SCHEMBL166734 0.85 ALDH1A1 (0.41) NPSR1MAPTHTTALDH1A1KDM4E
SCHEMBL110074 0.84 NPSR1 (0.44) NPSR1SMN1; SMN2MAPTHTTALDH1A1
Hydrochloric Acid SCHEMBL15206614 0.83 SMN1; SMN2 (0.42) NPSR1SMN1; SMN2MAPTHTTALDH1A1
SCHEMBL17603797 0.80 SMN1; SMN2 (0.41) NPSR1SMN1; SMN2MAPTHTTALDH1A1
SCHEMBL118992 0.78 NPSR1 (0.48) NPSR1SMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL29556424 0.78 NPSR1 (0.48) NPSR1SMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL257010 0.77 ALDH1A1 (0.38) SMN1; SMN2MAPTHTTALDH1A1PKM
SCHEMBL13256088 0.77 NPSR1 (0.47) NPSR1SMN1; SMN2MAPTHTTALDH1A1
SCHEMBL19627710 0.77 NPSR1 (0.47) NPSR1SMN1; SMN2ALDH1A1KDM4EPKM
SCHEMBL7012885 0.77 NPSR1 (0.41) NPSR1SMN1; SMN2MAPTHTTALDH1A1

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-1327631-A2 Fused heterocyclic compounds, their production and use as angiotensin II antagonists Takeda Chemical Industries, Ltd. (JP) 2003-07-16 EP disclosed
EP-0518033-B1 Fused heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-07-02 EP disclosed
US-5389641-A Fused heterocyclic compounds, having angiotensin II antagonistic activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-02-14 US disclosed
EP-0518033-A1 Fused heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-16 EP disclosed