SCHEMBL6469375

SCHEMBL6469375

Nc1c2ncnc-2ncn1C[C]=O

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AHCY P23526 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL1276952 0.77 ADORA2A (0.46) AHCYALDH1A1
SCHEMBL9149409 0.76 ADORA2B (0.34)
SCHEMBL3084463 0.69
SCHEMBL1232190 0.69
SCHEMBL9405168 0.68 AHCY (0.33) AHCY
SCHEMBL8328715 0.67 ADORA2A (0.33) AHCYALDH1A1
SCHEMBL7680204 0.67 AHCY (0.66) AHCYALDH1A1
SCHEMBL5960487 0.64 MEN1 (0.30)
SCHEMBL9397384 0.63
SCHEMBL7420628 0.58 FDPS (0.54) AHCYALDH1A1

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-8188011-B1 Optimization of ligand affinity for RNA targets using mass spectrometry ISIS PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
US-20050142581-A1 Microrna as ligands and target molecules ISIS PHARMACEUTICALS, INC. 2005-06-30 US disclosed
US-6849660-B1 Antimicrobial biaryl compounds ISIS PHARMACEUTICALS, INC. (US) 2005-02-01 US disclosed
US-6770486-B1 IDENTIFICATION OF LIGAND COMPOUNDS THAT BIND TO TARGET MOLECULES SUCH AS PROTEINS OR STRUCTURED RNA WITH AS LITTLE AS MILLIMOLAR (MM) AFFINITY USING MASS SPECTROMETRY ISIS PHARMACEUTICALS, INC. 2004-08-03 US disclosed