SCHEMBL7012111

SCHEMBL7012111

CCOc1nc(C(=O)OC)c2nc(OCC)[nH]c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.38
MAT2A P31153 1/20 0.34
LMNA P02545 2/20 0.33
CYP1A2 P05177 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GMNN O75496 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
GABRA1 P14867 1/20 0.33
TSHR P16473 1/20 0.33
GABRG2 P18507 1/20 0.33
NFKB1 P19838 1/20 0.33
APEX1 P27695 1/20 0.33
GABRB3 P28472 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 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
SCHEMBL7012116 0.79 NPSR1 (0.37) NPSR1MAT2ALMNACYP1A2KDM4E
Trifluoroacetic Acid SCHEMBL434419 0.70 TLR7 (0.33)
SCHEMBL7013042 0.70 NPSR1 (0.42) NPSR1LMNACYP1A2KDM4EALDH1A1
SCHEMBL1146282 0.69 PDE4B (0.34) MAT2ALMNACYP1A2MAPTKMT2A
SCHEMBL5271761 0.68 RIPK1 (0.60) LMNAKDM4EGABRA1GABRG2GABRB3
SCHEMBL7012885 0.68 NPSR1 (0.41) NPSR1LMNAALDH1A1POLBMAPT
SCHEMBL7010160 0.67 KDM4E (0.39) NPSR1LMNACYP1A2KDM4EALDH1A1
SCHEMBL7010158 0.67 KDM4E (0.39) NPSR1LMNACYP1A2KDM4EALDH1A1
SCHEMBL15808935 0.66 PRMT5 (0.41) NPSR1LMNACYP1A2KDM4EALDH1A1
SCHEMBL15808720 0.66 NQO2 (0.40) MAPTTSHRMAPK1

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