SCHEMBL7654047

SCHEMBL7654047

CC(=O)On1ncc2cc3[nH]c(=O)c(-c4cn(CCCN)c5cc([N+](=O)[O-])ccc45)nc3cc21

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ASH1L Q9NR48 1/20 0.35
MAPT P10636 1/20 0.34
GSK3B P49841 2/20 0.33
QPCT Q16769 2/20 0.33
TDP1 Q9NUW8 8/20 0.31
NPBWR1 P48145 1/20 0.31
CAMK2D Q13557 2/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
RPS6KB1 P23443 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
SCHEMBL7657220 0.87 CAMK2D (0.42) GSK3BCAMK2DRPS6KB1
SCHEMBL7657255 0.86 MAPT (0.34) ASH1LMAPTGSK3BQPCTTDP1
SCHEMBL7664757 0.84 CAMK2D (0.38) MAPTGSK3BQPCTCAMK2D
SCHEMBL7657012 0.84 MAPT (0.36) ASH1LMAPTTDP1CAMK2D
Acetic Acid SCHEMBL7663687 0.84 MAPT (0.41) ASH1LMAPTGSK3BQPCTTDP1
Acetic Acid SCHEMBL7815326 0.84 MAPT (0.41) ASH1LMAPTTDP1NPBWR1
Acetic Acid SCHEMBL8366763 0.83 MAPT (0.38) ASH1LMAPTGSK3BQPCTTDP1
SCHEMBL7654136 0.83 EGLN1 (0.39) CAMK2D
Acetic Acid SCHEMBL7654036 0.83 ASH1L (0.36) ASH1LMAPTGSK3BQPCTTDP1
SCHEMBL7664653 0.83 PDE4B (0.38) GSK3BQPCTTDP1

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-6458792-B1 MEDICAMENT FOR THE TREATMENT OF INFLAMMATORY, IMMUNOLOGICAL, BRONCHOPULMONARY, CARDIOVASCULAR, ONCOLOGICAL OR CNS-DEGENERATIVE DISORDERS. ASTRAZENECA AB (SE) 2002-10-01 US disclosed