SCHEMBL13825596

SCHEMBL13825596

Nn1c(=O)[nH]c2cc([N+](=O)[O-])c(-n3ccc(C=O)c3)cc2c1=O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 11/20 0.45
GRIA2 P42262 11/20 0.45
GRIA3 P42263 11/20 0.45
GRIA4 P48058 11/20 0.45
GRIK1 P39086 5/20 0.43
GRIK2 Q13002 5/20 0.43
GRIK5 Q16478 5/20 0.43
GRIK3 Q13003 4/20 0.43
GRIK4 Q16099 4/20 0.43
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL5166827 0.81 GRIA1 (0.38) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8609423 0.79 GRIA1 (0.65) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8612927 0.70 GRIK1 (0.55) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8681277 0.70 GRIA1 (0.76) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8611636 0.69 GRIA1 (0.56) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8611278 0.69 GRIK1 (0.47) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL7486337 0.68 GRIK1 (0.43) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8610384 0.67 GRIA1 (0.79) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL5167321 0.65 GRIA1 (0.46) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8038353 0.65 GRIA1 (0.53) GRIA1GRIA2GRIA3GRIA4GRIK1

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
EP-1773788-B1 Quinazoline derivatives NOVARTIS AG (CH) 2012-11-14 EP disclosed