SCHEMBL8285568

SCHEMBL8285568

Nc1ncnc2c1ncn2[C@@H]1O[C@H](/C=C/CNC(=O)c2cc(C(=O)c3ccncc3)cc(O)c2O)C(O)C1O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AHCY P23526 12/20 0.50
PRMT5 O14744 1/20 0.46
PRMT3 O60678 1/20 0.46
PRMT9 Q6P2P2 1/20 0.46
CARM1 Q86X55 1/20 0.46
PRMT6 Q96LA8 1/20 0.46
PRMT1 Q99873 1/20 0.46
PRMT8 Q9NR22 1/20 0.46
PRMT7 Q9NVM4 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
HIF1A Q16665 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45

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
SCHEMBL4867568 1.00 AHCY (0.50) AHCYPRMT5PRMT3PRMT9CARM1
SCHEMBL4862505 1.00 AHCY (0.50) AHCYPRMT5PRMT3PRMT9CARM1
SCHEMBL4862526 1.00 AHCY (0.50) AHCYPRMT5PRMT3PRMT9CARM1
SCHEMBL4862517 1.00 AHCY (0.50) AHCYPRMT5PRMT3PRMT9CARM1
SCHEMBL14279838 1.00 AHCY (0.50) AHCYPRMT5PRMT3PRMT9CARM1
SCHEMBL4862183 0.92 AHCY (0.49) AHCYPRMT5PRMT3PRMT9CARM1
SCHEMBL4862230 0.92 AHCY (0.49) AHCYPRMT5PRMT3PRMT9CARM1
SCHEMBL4863149 0.92 AHCY (0.49) AHCYPRMT5PRMT3PRMT9CARM1
SCHEMBL4862163 0.92 AHCY (0.49) AHCYPRMT5PRMT3PRMT9CARM1
SCHEMBL14279867 0.92 AHCY (0.49) AHCYPRMT5PRMT3PRMT9CARM1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005058228-A2 COMT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO disclosed