SCHEMBL7657255

SCHEMBL7657255

CC(=O)On1cnc2cc3[nH]c(=O)c(-c4cn(CCCN)c5cc([N+](=O)[O-])ccc45)nc3cc21

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.34
ASH1L Q9NR48 1/20 0.34
GAA P10253 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTT P42858 3/20 0.32
POLB P06746 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPK1 P28482 2/20 0.32
TDP1 Q9NUW8 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CAMK2D Q13557 1/20 0.32
GSK3B P49841 1/20 0.31
QPCT Q16769 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31

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
SCHEMBL7653994 0.87 CAMK2D (0.43) CAMK2DGSK3B
SCHEMBL7657012 0.86 MAPT (0.36) MAPTASH1LHTTALDH1A1TDP1
SCHEMBL7654047 0.86 ASH1L (0.35) MAPTASH1LTDP1CAMK2DGSK3B
SCHEMBL7652581 0.85 CAMK2D (0.41) CAMK2DGSK3B
SCHEMBL7663240 0.84 CAMK2D (0.38) MAPTHTTMEN1KMT2ACAMK2D
Acetic Acid SCHEMBL7657005 0.84 MAPT (0.37) MAPTASH1LTDP1MEN1KMT2A
Acetic Acid SCHEMBL7815326 0.84 MAPT (0.41) MAPTASH1LL3MBTL1POLBALDH1A1
SCHEMBL7661373 0.84 TRPM8 (0.34) MAPTALDH1A1CAMK2DSMN1; SMN2
Acetic Acid SCHEMBL7657247 0.84 ASH1L (0.37) MAPTASH1LGAAALDH1A1TDP1
Acetic Acid SCHEMBL8366763 0.83 MAPT (0.38) MAPTASH1LGAAHTTPOLB

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