SCHEMBL7654550

SCHEMBL7654550

CC(=O)On1c(=O)c(-c2cn(CCCN)c3cc([N+](=O)[O-])ccc23)nc2cc3c(cc21)CCC3

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
ASH1L Q9NR48 1/20 0.35
TDP1 Q9NUW8 12/20 0.34
MAPK1 P28482 1/20 0.32
LMNA P02545 1/20 0.31
CYP2D6 P10635 1/20 0.31
PKM P14618 1/20 0.31
CFTR P13569 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 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
SCHEMBL7659523 0.98 ASH1L (0.35) KMT2AMEN1ALDH1A1MAPTASH1L
SCHEMBL8366761 0.89 ASH1L (0.37) KMT2AMEN1ALDH1A1MAPTASH1L
SCHEMBL7663691 0.89 ASH1L (0.38) KMT2AMEN1ALDH1A1MAPTASH1L
SCHEMBL7665495 0.87 CAMK2D (0.41)
SCHEMBL7664149 0.85 CAMK2D (0.41)
SCHEMBL7663936 0.84 CAMK2D (0.39) ALDH1A1
SCHEMBL8366774 0.84 ASH1L (0.34) KMT2AMEN1ALDH1A1MAPTASH1L
SCHEMBL8367882 0.84 RAB9A (0.44) KMT2AMEN1ALDH1A1MAPTASH1L
SCHEMBL7653829 0.84 CNR2 (0.36)
SCHEMBL7662842 0.83 PDE4B (0.40) TDP1

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