SCHEMBL16384451

SCHEMBL16384451

CC(C)(C)c1ccc2nc(-n3cc([C]=O)cn3)[nH]c(=O)c2c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 11/20 0.45
TNKS O95271 5/20 0.41
TNKS2 Q9H2K2 5/20 0.41
PARP1 P09874 4/20 0.41
MGLL Q99685 2/20 0.38
HTR3A P46098 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
ALKBH3 Q96Q83 1/20 0.35

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
SCHEMBL16384441 0.91 EGLN1 (0.39) EGLN1TNKSTNKS2PARP1MGLL
SCHEMBL3027014 0.83 EGLN1 (0.65) EGLN1
SCHEMBL16857753 0.81 EGLN1 (0.47) EGLN1TNKSTNKS2PARP1MGLL
SCHEMBL10633927 0.76 EGLN1 (0.54) EGLN1MGLLALKBH3
SCHEMBL3026665 0.76 EGLN1 (0.58) EGLN1
SCHEMBL16384479 0.75 PARP1 (0.35) EGLN1TNKSTNKS2PARP1
SCHEMBL10637865 0.73 EGLN1 (0.51) EGLN1MGLLALKBH3
SCHEMBL16857723 0.73 EGLN1 (0.42) EGLN1TNKSTNKS2MGLL
SCHEMBL3799865 0.72 EGLN1 (0.55) EGLN1
SCHEMBL3799863 0.71 EGLN1 (0.47) EGLN1

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
US-8937078-B2 Quinazolinones as prolyl hydroxylase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2015-01-20 US claimed