SCHEMBL7012885

SCHEMBL7012885

CCOc1nc(N)c([N+](=O)[O-])c(C(=O)OC)n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.41
MAPT P10636 7/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 3/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 2/20 0.36
RECQL P46063 1/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 2/20 0.36
THRB P10828 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
BLM P54132 1/20 0.35
ATM Q13315 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
MGMT P16455 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
SCHEMBL7013042 0.81 NPSR1 (0.42) NPSR1HTTSMN1; SMN2GAAALDH1A1
SCHEMBL19539399 0.78 POLB (0.38) NPSR1MAPTHTTSMN1; SMN2TDP1
SCHEMBL7014795 0.77 NPSR1 (0.46) NPSR1MAPTHTTSMN1; SMN2TDP1
SCHEMBL27631417 0.74 ADORA3 (0.45) NPSR1MAPTHTTALDH1A1RECQL
SCHEMBL166734 0.72 ALDH1A1 (0.41) NPSR1MAPTHTTGAAALDH1A1
SCHEMBL21047996 0.71 POLB (0.38) NPSR1MAPTTDP1ALDH1A1RECQL
SCHEMBL27631927 0.69 LMNA (0.44) NPSR1MAPTHTTSMN1; SMN2ALDH1A1
SCHEMBL16182532 0.69 MAPT (0.41) MAPTHTTSMN1; SMN2ALDH1A1POLB
SCHEMBL7012111 0.68 NPSR1 (0.38) NPSR1MAPTALDH1A1POLBLMNA
SCHEMBL2458774 0.68 TLR7 (0.36) MAPTSMN1; SMN2TDP1GAAALDH1A1

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