SCHEMBL7659523

SCHEMBL7659523

CC(=O)On1c(=O)c(-c2cn(CCCN)c3cc([N+](=O)[O-])ccc23)nc2cc3c(cc21)CCCC3

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ASH1L Q9NR48 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
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

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
SCHEMBL7654550 0.98 KMT2A (0.36) ASH1LKMT2AMEN1ALDH1A1MAPT
SCHEMBL8366761 0.89 ASH1L (0.37) ASH1LKMT2AMEN1ALDH1A1MAPT
SCHEMBL7663691 0.89 ASH1L (0.38) ASH1LKMT2AMEN1ALDH1A1MAPT
SCHEMBL7664149 0.87 CAMK2D (0.41)
SCHEMBL7665495 0.85 CAMK2D (0.41)
SCHEMBL7657124 0.84 CAMK2D (0.39) ALDH1A1
SCHEMBL8366774 0.84 ASH1L (0.34) ASH1LKMT2AMEN1ALDH1A1MAPT
SCHEMBL8367882 0.84 RAB9A (0.44) ASH1LKMT2AMEN1ALDH1A1MAPT
SCHEMBL7666393 0.84 CAMK2D (0.36)
SCHEMBL7662560 0.83 PDE4B (0.40)

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 3 patents. 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
EP-1071683-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2001-01-31 EP disclosed
WO-1999046264-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 1999-09-16 WO disclosed